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Inhibitors

Inhibitor refers to substance that can hinder the chemical reactions, biological reactions (including immune response) and biological activity. In present time, commonly used inhibitors include immunosuppressants and inhibitors.

1. Immunosuppressive agents: immunosuppressants system refers to drug that can reduce the immune response. It can selectively suppress certain steps of the immune response and immune cells. Immune response refers to the body’s response to a variety of pathogenic substances. Some reactions are favorable to the body and can enhance the body's resistance to disease; some have adverse effects on the body and can cause tissue damage or disorders of physiological functions (allergy). Therefore, patients suffering from allergic reactions being harmful to the body should be subject to the treatment of immunosuppressant to affect the related immune processes and reduce the immune response of the body.

For the treatment of various autoimmune diseases and weakening the tissue incompatibility, it has been developed of a variety of immunosuppressive agents, some of which have been widely used in clinical practice. Commonly used immunosuppressants include glucocorticoids (prednisone, prednisolone, etc.), alkylating agents (nitric oxide mustard, cyclophosphamide, thiotepa, busulfan, etc.), and antimetabolites (6- mercaptopurine, azathioprine, methotrexate, etc.).

The mechanism of immunosuppressants, though not entirely clear, but is characterized by the following several aspects:
① most kinds of immunosuppressants can simultaneously inhibit cellular and humoral immunity and can be used for organ transplantation and autoimmune disease.
②Its inhibitory effect is strong for the primary immune response while the inhibitory effect against secondary response is weak.
③It can simultaneously act on normal and pathological immunity, therefore, can often lead to some complications.
④These drugs often have strong with serious adverse reactions.

2. Enzyme inhibitors: Enzyme inhibitors refer to compounds or drugs being capable of binding to enzyme and inhibit the enzymatic activity. It is clinically often applied of enzyme inhibitors to specially interfere with certain metabolic system to achieve the therapeutic purposes. For example, people use monoamine oxidase inhibitors as antidepressants; use carbonic anhydrase inhibitors as diuretics; use dopa decarboxylase inhibitors as antihypertensive drugs and use antibiotics such as penicillin, cephalosporins belonging to cell wall synthesis inhibitors. Enzyme inhibitors have applications in veterinary medicine and agriculture. In addition, people can also apply enzyme inhibitors to study the mechanism of the enzyme and metabolic pathways.

Enzyme inhibitors often have similar structure with their natural substrates. For designing the inhibitors according modification of natural substrate, people should first analyze and decide the function of each part of the molecule in binding with enzymes: for binding or not binding or repulsion; secondly, people should know the degree of tolerance of the binding site to the adjacent steric hindrance. Then people can replace each functional group to regulate the strength of interaction with the enzyme.

Inhibitors can be divided into reversible and irreversible, two classes. (1)Inhibitors binding with enzyme through non-covalent bonds are called reversible inhibitor. (2)Inhibitors binding to the enzyme via a covalent bond are irreversible inhibitors with strong binding affinity. They will not be affected by concentration change process such as dialysis or dilution after binding to the enzyme.

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Structure Chemical Name CAS MF
PLX3397 (Pexidartinib) PLX3397 (Pexidartinib) 1029044-16-3 C20H15ClF3N5
(2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid 1335316-40-9 C13H22N2O5
Acalabrutinib Acalabrutinib 1420477-60-6 C26H23N7O2
DM4 DM4 796073-69-3 C38H54ClN3O10S
BI-2493 BI-2493 2937344-16-4 C24H27N7OS
RMC6236 RMC6236 2765081-21-6 C44H58N8O5S
Frovatriptan Succinate Frovatriptan Succinate 158930-09-7 C18H23N3O5
KB-0742 KB-0742 2416873-83-9 C16H25N5
Ilaprazole sodium Ilaprazole sodium 172152-50-0 C19H19N4NaO2S
Rupatadine Rupatadine 158876-82-5 C26H26ClN3
Pamiparib Pamiparib 1446261-44-4 C16H15FN4O
ACT-132577 ACT-132577 1103522-45-7 C16H14Br2N6O4S
Sparsentan Sparsentan 254740-64-2 C32H40N4O5S
MRGPRX1 agonist 1 MRGPRX1 agonist 1 2377379-39-8 C23H21N3O4S
FAPI-4 FAPI-4 2374782-02-0 C40H54F2N10O10
KY-226 KY-226 1621673-53-7 C27H31NO3S2
Abrocitinib Abrocitinib 1622902-68-4 C14H21N5O2S
SD208 (TGF-Β/SMAD inhibitor) SD208 (TGF-Β/SMAD inhibitor)
Alectinib Hydrochloride Alectinib Hydrochloride 1256589-74-8 C30H35ClN4O2
4-BroMo-N-(4-broMophenyl)-3-[[(phenylMethyl)aMino]sulfonyl]benzaMide 4-BroMo-N-(4-broMophenyl)-3-[[(phenylMethyl)aMino]sulfonyl]benzaMide 312756-74-4 C20H16Br2N2O3S
AA41612 AA41612 433690-62-1 C12H15Cl2NO3S
Tirabrutinib Tirabrutinib 1351636-18-4 C25H22N6O3
Grapiprant Grapiprant 415903-37-6 C26H29N5O3S
Pracinostat Dihydrochloride Pracinostat Dihydrochloride 929016-98-8 C20H32Cl2N4O2
Futibatinib Futibatinib 1448169-71-8 C22H22N6O3
Pyrotinib Maleate Pyrotinib Maleate 1397922-61-0 C40H39ClN6O11
GSK872 GSK872 1346546-69-7 C19H17N3O2S2
Lys05 Lys05 1391426-24-6 C23H24Cl3N5
CU CPT 4a CU CPT 4a 1279713-77-7 C18H13ClFNO3S
Leniolisib Leniolisib 1354690-24-6 C21H25F3N6O2
BMS-986205 BMS-986205 1923833-60-6 C24H24ClFN2O
MKC9989 MKC9989 1338934-20-5 C17H20O7
PF06869206 PF06869206 2227425-05-8 C15H14ClF3N4O2
Granisetron hydrochloride Granisetron hydrochloride 1224925-76-1 C18H21D3N4O
3-Oxo-5beta-cholanoic Acid 3-Oxo-5beta-cholanoic Acid 1553-56-6 C24H38O3
[1,1'-Biphenyl]-2,2',5,5'-tetrol, 4,4'-dimethyl- [1,1'-Biphenyl]-2,2',5,5'-tetrol, 4,4'-dimethyl- 4371-34-0 C14H14O4
MT1 BET inhibitor MT1 BET inhibitor 2060573-82-0 C54H66Cl2N10O9S2
Medetomidine Medetomidine 86347-14-0 C13H16N2
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]- 1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]- 92206-54-7 C19H25NOS
E7130 E7130 2220148-40-1 C58H83NO17
Methanone, cyclopropyl[(5S,7S)-7-fluoro-6,7-dihydro-5-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]- Methanone, cyclopropyl[(5S,7S)-7-fluoro-6,7-dihydro-5-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]- 2268739-68-8 C15H14FN3O
Plitidepsin Plitidepsin 137219-37-5 C57H87N7O15
Teneligliptin Teneligliptin 760937-92-6 C22H30N6OS
VS-7375 VS-7375
Probenecid sodium Probenecid sodium 23795-03-1 C13H18NNaO4S
LC242 LC242 187585-64-4 C37H36O14
tesofensine tesofensine 195875-84-4 C17H23Cl2NO
Atosiban Acetate Atosiban Acetate 914453-95-5 C45H71N11O14S2
Rolapitant Rolapitant 552292-08-7 C25H26F6N2O2
Temsavir Temsavir 701213-36-7 C24H23N7O4
Flumatinib mesylate Flumatinib mesylate 895519-91-2 C30H33F3N8O4S
SR9011 SR9011 1379686-29-9 C23H31ClN4O3S
APREPITANT (SUBSTANCE P antagonist) APREPITANT (SUBSTANCE P antagonist)
Marilixibat chloride Marilixibat chloride 228113-66-4 C40H56ClN3O4S
GDF-8 GDF-8
BI-0474 BI-0474 2750570-55-7 C30H37N9O2S
hygromycin A hygromycin A 6379-56-2 C23H29NO12
2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol 2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol 128607-22-7 C24H23ClO2
GPX4-IN-5 GPX4-IN-5 2922824-09-5 C18H17ClFNO5
Disitertide Disitertide 272105-42-7 C68H109N17O22S2
NU1025 NU1025 90417-38-2 C9H8N2O2
4-HYDROXY-2-[(1E)-[4-(1-METHYLETHYL)PHENYL]METHYLENE]HYDRAZIDE 4-HYDROXY-2-[(1E)-[4-(1-METHYLETHYL)PHENYL]METHYLENE]HYDRAZIDE 101574-65-6 C17H18N2O2
Cdc7/Cdk9 Inhibitor Cdc7/Cdk9 Inhibitor 845714-00-3 C12H11N3O
ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE 869363-13-3 C25H15ClF2N4O2
CYC-116 CYC-116 693228-63-6 C18H20N6OS
VX 702 VX 702 745833-23-2 C19H12F4N4O2
BMS-754807 BMS-754807 1001350-96-4 C23H24FN9O
4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide 4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide 188591-46-0 C15H12ClF3N2O3S
PH-797804 PH-797804 586379-66-0 C22H19BrF2N2O3
PF03716556 PF03716556 928774-43-0 C22H26N4O3
bPiDDB bPiDDB 525596-66-1 C24H38Br2N2
PF 477736 PF 477736 952021-60-2 C22H25N7O2
(+)-Fluprostenol (+)-Fluprostenol 54276-17-4 C23H29F3O6
CCT129202 CCT129202 942947-93-5 C23H25ClN8OS
PF-03814735 PF-03814735 942487-16-3 C23H25F3N6O2
CH5132799 CH5132799 1007207-67-1 C15H19N7O3S
FX-11 FX-11 213971-34-7 C22H22O4
Abemaciclib mesylate (LY2835219) Abemaciclib mesylate (LY2835219) 1231930-82-7 C28H36F2N8O3S
PRT062607 (Hydrochloride) PRT062607 (Hydrochloride) 1370261-97-4 C19H24ClN9O
1-Cyclopentyl-N-((4,6-diMethyl-2-oxo-1,2-dihydropyridin-3-yl)Methyl)-6-(4-(MorpholinoMethyl)phenyl)-1H-indazole-4-carboxaMide 1-Cyclopentyl-N-((4,6-diMethyl-2-oxo-1,2-dihydropyridin-3-yl)Methyl)-6-(4-(MorpholinoMethyl)phenyl)-1H-indazole-4-carboxaMide 1396772-26-1 C32H37N5O3
RN486 RN486 1242156-23-5 C35H35FN6O3
AVL-292 AVL-292 1202757-89-8 C22H22FN5O3
PD0332991 Isethionate PD0332991 Isethionate 827022-33-3 C26H35N7O6S
AZD-1208 AZD-1208 1204144-28-4 C21H21N3O2S
UNC 0631 UNC 0631 1320288-19-4 C37H61N7O2
Pralsetinib Pralsetinib 2097132-94-8 C27H32FN9O2
MS023 (hydrochloride) MS023 (hydrochloride) 2108631-19-0 C17H26ClN3O
GS 441524 GS 441524 1191237-69-0 C12H13N5O4
Capmatinib hydrochloride Capmatinib hydrochloride 1865733-40-9 C23H20ClFN6O2
LY310762 LY310762 192927-92-7 C24H27O2N2FHCl
5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-α-L-manno-2-nonulopyranosonic acid methyl ester 2,4,7,8,9-pentaacetate 5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-α-L-manno-2-nonulopyranosonic acid methyl ester 2,4,7,8,9-pentaacetate 117405-58-0 C22H30FNO14
Ropsacitinib Ropsacitinib 2127109-84-4 C20H17N9
IMD-0354 IMD-0354 978-62-1 C15H8ClF6NO2
ATF4 ATF4
Methanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)- Methanone, [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)- 1332881-26-1 C21H19N3O4
Lanreotide acetate Lanreotide acetate 2378114-72-6 C56H73N11O12S2
BAY 11-7085 BAY 11-7085 196309-76-9 C13H15NO2S
RG108 RG108 48208-26-0 C19H14N2O4
TCS 359 TCS 359 301305-73-7 C18H20N2O4S
Ilomastat Ilomastat 142880-36-2 C20H28N4O4
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