Details of the Drug

General Information of Drug (ID: DMVLXMG)

Drug Name
Camostat mesylate
Synonyms
Camostat (mesylate); Camostat Methanesulfonate; Camostat methanesulfate; DSSTox_CID_238; DSSTox_GSID_20238; DSSTox_RID_75452; FOY 305; FOY-305; FOY305; Foipan; Foipan (TN); Foipan mesylate; NCGC00167526-01; Q-200778; UNII-451M50A1EQ; camostat mesilate; 451M50A1EQ; C21H26N4O8S; CAS-59721-29-8; CHEMBL85164
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 2 [1]
Middle East Respiratory Syndrome (MERS) 1D64 Investigative [2]
Severe acute respiratory syndrome (SARS) 1D65 Investigative [2]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 494.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C21H26N4O8S
IUPAC Name
[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Canonical SMILES
CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O
InChI
InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
InChIKey
FSEKIHNIDBATFG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5284360
ChEBI ID
CHEMBL85164
CAS Number
59721-29-8
TTD ID
D0A5BT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HUMAN transmembrane protease serine 2 (TMPRSS2) TT3FDB1 TMPS2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor. Cell. 2020 Apr 16;181(2):271-280.e8.
2 Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.