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]
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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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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: CHEBI:31347
CAS Number: 59721-29-8
TTD ID: D0A5BT

Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Transmembrane protease serine 2 (TMPRSS2)	OTN44YQ5	TMPS2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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.
3	Middle East respiratory syndrome coronavirus infection mediated by the transmembrane serine protease TMPRSS2. J Virol. 2013 Dec;87(23):12552-61. doi: 10.1128/JVI.01890-13. Epub 2013 Sep 11.