CAMOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B02AB04
UNII: 0FD207WKDU

Structure
InChI Key XASIMHXSUQUHLV-UHFFFAOYSA-N
Smile CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1
InChI
InChI=1S/C20H22N4O5/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/h3-10H,11-12H2,1-2H3,(H4,21,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N4O5
Molecular Weight 398.42
AlogP 1.39
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 134.81
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 32000 - - 90-100
Enzyme Protease Serine protease
1000 29 - - 90-100
Enzyme
1000 29 - - 90-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 16500 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 12700 - - 77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135632
ChEMBL CHEMBL590799
DrugBank DB13729
DrugCentral 471
EPA CompTox DTXSID6044010
FDA SRS 0FD207WKDU
Guide to Pharmacology 6432
PubChem 2536
SureChEMBL SCHEMBL125269
ZINC ZINC000003871842
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