Molecule Details
InChIKeyCDPROXZBMHOBTQ-SJORKVTESA-N
Compound NameInogatran
Canonical SMILESN=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.58
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB19880
Drug NameInogatran
CAS Number155415-08-0
Groups experimental
ATC Codes nan
DescriptionInogatran is a small molecule drug. Inogatran has a monoisotopic molecular weight of 438.3 Da.
Categories: Amino Acids Amino Acids, Peptides, and Proteins Anticoagulants Antithrombins Enzyme Inhibitors Hematologic Agents Protease Inhibitors Serine Protease Inhibitors
Cross-references: BindingDB: 50289562 CHEMBL114715 PDB: IGN ZINC: ZINC000003794149
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P00734 F2 Homo sapiens Human PF00594 PF00051 PF09396 PF00089 7.8 Ki ChEMBL;BindingDB
P07477 PRSS1 Homo sapiens Human PF00089 7.3 Ki ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P00734 F2 Prothrombin modulator targets