nafamostat   Click here for help

GtoPdb Ligand ID: 4262

Synonyms: CKD-314 | CKD314 | FUT-175 | Nafabelltan®
Approved drug PDB Ligand
nafamostat is an approved drug (Japan only)
Compound class: Synthetic organic
Comment: Nafamostat is a guanidinobenzoate-containing inhibitor, with activity against a range of serine proteases. Some data is attached to nafamostat mesylate (PubChem CID 5311180).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 140.57
Molecular weight 347.14
XLogP 2.98
No. Lipinski's rules broken 0
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Canonical SMILES NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N
Isomeric SMILES NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N
InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name Click here for help
6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]benzoate
International Nonproprietary Names Click here for help
INN number INN
5682 nafamostat
Synonyms Click here for help
CKD-314 | CKD314 | FUT-175 | Nafabelltan®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9649965
Reactome Reaction Reactome logo R-HSA-9681514
Other databases
CAS Registry No. 81525-10-2 (source: PubChem)
ChEMBL Ligand CHEMBL273264
DrugCentral Ligand 1867
GtoPdb PubChem SID 178101079
PubChem CID 4413
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UniChem Compound Search for chemical match using the InChIKey MQQNFDZXWVTQEH-UHFFFAOYSA-N
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Wikipedia Nafamostat