Molecule Details
InChIKeyKPBNHDGDUADAGP-VAWYXSNFSA-N
Compound NameDaporinad
Canonical SMILESO=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.38
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12731
Drug NameDaporinad
CAS Number658084-64-1
Groups investigational
ATC Codes nan
DescriptionDaporinad has been used in trials studying the treatment of Melanoma, Cutaneous T-cell Lymphoma, and B-cell Chronic Lymphocytic Leukemia.
Categories: Acids, Acyclic Acrylates Amides
Cross-references: BindingDB: 81395 CHEMBL566757 ChemSpider: 5290535 PDB: DGB PubChem:6914657 PubChem:347828925 ZINC: ZINC000003828115
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P43490 NAMPT Homo sapiens Human PF18127 PF04095 8.5 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.3 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P43490 NAMPT Nicotinamide phosphoribosyltransferase inhibitor targets