Molecule Details
InChIKeyHGEPGGJUGUMFHT-UHFFFAOYSA-N
Canonical SMILESO=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.66
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08058
Drug Name4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 27533 CHEMBL380648 ChemSpider: 9466918 PDB: KU8 PubChem:11291932 PubChem:99444529 ZINC: ZINC000003821234
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P09874 PARP1 Homo sapiens Human PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 8.2 IC50 ChEMBL;BindingDB
Q9Y6F1 PARP3 Homo sapiens Human PF00644 PF02877 PF05406 7.2 Kd ChEMBL;BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
Q9Y6F1 PARP3 Protein mono-ADP-ribosyltransferase PARP3 binder targets
P09874 PARP1 Poly [ADP-ribose] polymerase 1 inhibitor targets