Molecule Details
InChIKeyKPRPFTOLWQQUAV-OCVAFRRMSA-N
Compound NameZilurgisertib
Canonical SMILESNc1ncc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)cc1C(=O)NC12CCC(O)(CC1)CC2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.74
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB18152
Drug NameZilurgisertib
CAS Number2173389-57-4
Groups investigational
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 451802 CHEMBL5314579 ChemSpider: 115010438
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 7.7 IC50 ChEMBL;BindingDB
P37023 ACVRL1 Homo sapiens Human PF07714 PF08515 6.5 IC50 ChEMBL;BindingDB
P36894 BMPR1A Homo sapiens Human PF01064 PF07714 PF08515 6.0 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
Q04771 ACVR1 Activin receptor type-1 inhibitor targets