Molecular Identity
Camostat
[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate
PubChem CID: 2536
Camostat is a benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. It has a role as an anticoronaviral agent, an antiviral agent, an antineoplastic agent, an antihypertensive agent, an antifibrinolytic drug, a serine protease inhibitor and an anti-inflammatory agent. It is a tertiary carboxamide, a member of guanidines, a carboxylic ester, a benzoate ester and a diester. It is functionally related to a 4-guanidinobenzoic acid. It is a conjugate base of a camostat(1+).
2D Structure
Properties
C20H22N4O5
Molecular Formula
398.40
Molecular Weight
g/mol
398.1590
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
602
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Camostat59721-28-7camostateCamostatum0FD207WKDUDTXSID6044010CHEBI:135632p-Guanidinobenzoic acid, ester with (p-hydroxyphenyl)acetic acid, ester with N,N-dimethylglycolamide4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate(4-(2-(2-dimethylamino-2-oxoethoxy)-2-oxoethyl)phenyl) 4-(diaminomethylideneamino)benzoate[4-[2-(2-dimethylamino-2-oxoethoxy)-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate4-(2-((dimethylcarbamoyl)methoxy)-2-oxoethyl)phenyl 4-carbamimidamidobenzoateRefChem:573682DTXCID4024010Camostat [INN]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Camostat
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