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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
Ixazomib citrate Ixazomib citrate 1239908-20-3 C20H23BCl2N2O9
Fezolinetant Fezolinetant 1629229-37-3 C16H15FN6OS
EC330 EC330 2016795-77-8 C30H32F2O2
GDC-0077 GDC-0077 2060571-02-8 C18H19F2N5O4
ERDAFITINIB ERDAFITINIB 1346242-81-6 C25H30N6O2
CPI 360 CPI 360 1802175-06-9 C25H31N3O4
(±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride (±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride 60398-91-6 C16H24ClNO2
Berotralstat hydrochloride Berotralstat hydrochloride 1809010-52-3 C30H27ClF4N6O
Alisol C 23-acetate Alisol C 23-acetate 26575-93-9 C32H48O6
Donafenib Donafenib 1130115-44-4 C21H16ClF3N4O3
Crisaborole Crisaborole 906673-24-3 C14H10BNO3
Relugolix Relugolix 737789-87-6 C29H27F2N7O5S
CPI-444 CPI-444 1202402-40-1 C20H21N7O3
SR9009 SR9009 1379686-30-2 C20H24ClN3O4S
 PTP Inhibitor V, PHPS1 PTP Inhibitor V, PHPS1 314291-83-3 C21H15N5O6S
(+)-Cloprostenol isopropyl ester (+)-Cloprostenol isopropyl ester 157283-66-4 C25H35ClO6
Quizartinib hydrochloride Quizartinib hydrochloride 1132827-21-4 C29H33ClN6O4S
Omadacycline Omadacycline 389139-89-3 C29H40N4O7
4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione 4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione 865854-05-3 C19H14N2O2S
VcMMAE VcMMAE 646502-53-6 C68H105N11O15
R-(+)-Etomoxir R-(+)-Etomoxir 124083-20-1 C17H23ClO4
Secukinumab Secukinumab 875356-43-7
?Cedazuridine ?Cedazuridine 1141397-80-9 C9H14F2N2O5
dCBP-1 dCBP-1 2484739-25-3 C51H63F2N11O10
BMS-P5 BMS-P5 1549811-36-0 C27H33ClN6O2
MRTX-1719 MRTX-1719 2630904-45-7 C23H18ClFN6O2
Fmoc-GGFG-Dxd Fmoc-GGFG-Dxd 1599440-11-5 C57H55FN8O12
Gadobutrol Gadobutrol 138071-82-6 C18H31N4O9.Gd
MK-677 MK-677 159634-47-6 C27H36N4O5S
2''-(5-ETHYL-3,4-DIPHENYL-PYRAZOL-1-YL)-BIPHENYL-3-YLOXY]ACETIC ACID 2''-(5-ETHYL-3,4-DIPHENYL-PYRAZOL-1-YL)-BIPHENYL-3-YLOXY]ACETIC ACID 300657-03-8 C31H26N2O3
B7-33 2mg/5mg/10mg B7-33 2mg/5mg/10mg 1818415-56-3 C131H229N41O36S
N-(2-Hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide HCl N-(2-Hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide HCl 1219976-29-0 C10H17ClN4O2
Clascoterone Clascoterone 19608-29-8 C24H34O5
XL518 XL518 934660-93-2 C21H21F3IN3O2
Tucatinib Tucatinib 937263-43-9 C26H24N8O2
Peficitinib Peficitinib 944118-01-8 C18H22N4O2
FMoc-Val-Cit-PAB-MMAE FMoc-Val-Cit-PAB-MMAE 1350456-56-2 C73H104N10O14
Ivosidenib Ivosidenib 1448347-49-6 C28H22ClF3N6O3
GNE-140 (racemate) GNE-140 (racemate) 1802977-61-2 C25H23ClN2O3S2
PF-06882961 PF-06882961 2230198-02-2 C31H30FN5O4
Delgocitinib Delgocitinib 1263774-59-9 C16H18N6O
LOXO-292 LOXO-292 2152628-33-4 C29H31N7O3
Osilodrostat phosphate Osilodrostat phosphate 1315449-72-9 C13H13FN3O4P
Tetraacetylphytosphingosine Tetraacetylphytosphingosine 13018-48-9 C26H47NO7
Pirtobrutinib Pirtobrutinib 2101700-15-4 C22H21F4N5O3
DPO-1 DPO-1 43077-30-1 C22H29OP
IA-14069 IA-14069 2271216-04-5 C20H15ClF2O4
APG-2449 APG-2449 2196186-84-0 C33H42ClN5O4S
FHD-286 FHD-286 2671128-05-3 C24H30N6O6S2
Maytansinol Maytansinol 57103-68-1 C28H37ClN2O8
Pixantrone Dimaleate Pixantrone Dimaleate 144675-97-8 C21H23N5O6
HRX-0215 HRX-0215 2369583-33-3 C21H17F2N5O3S
Gefapixant Gefapixant 1015787-98-0 C14H19N5O4S
Sarecycline Hydrochloride Sarecycline Hydrochloride 1035979-44-2 C24H30ClN3O8
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
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
Pralsetinib Pralsetinib 2097132-94-8 C27H32FN9O2
GS-441524 GS-441524 1191237-69-0 C12H13N5O4
Capmatinib hydrochloride Capmatinib hydrochloride 1865733-40-9 C23H20ClFN6O2
Ropsacitinib Ropsacitinib 2127109-84-4 C20H17N9
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
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
Plitidepsin Plitidepsin 137219-37-5 C57H87N7O15
Teneligliptin Teneligliptin 760937-92-6 C22H30N6OS
Probenecid sodium Probenecid sodium 23795-03-1 C13H18NNaO4S
LC242 LC242 187585-64-4 C37H36O14
tesofensine tesofensine 195875-84-4 C17H23Cl2NO
Temsavir Temsavir 701213-36-7 C24H23N7O4
Flumatinib mesylate Flumatinib mesylate 895519-91-2 C30H33F3N8O4S
SR9011 SR9011 1379686-29-9 C23H31ClN4O3S
Sparsentan Sparsentan 254740-64-2 C32H40N4O5S
Pamiparib Pamiparib 1446261-44-4 C16H15FN4O
Rupatadine Rupatadine 158876-82-5 C26H26ClN3
Abrocitinib Abrocitinib 1622902-68-4 C14H21N5O2S
SD208 (TGF-Β/SMAD inhibitor) SD208 (TGF-Β/SMAD inhibitor)
APREPITANT (SUBSTANCE P antagonist) APREPITANT (SUBSTANCE P antagonist)
Marilixibat chloride Marilixibat chloride 228113-66-4 C40H56ClN3O4S
MRGPRX1 agonist 1 MRGPRX1 agonist 1 2377379-39-8 C23H21N3O4S
BI-2493 BI-2493 2937344-16-4 C24H27N7OS
Romiplostim Romiplostim 267639-76-9 C15H14N2O
TAS-116 TAS-116 1260533-36-5 C25H26N8O
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
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