Molecule Details
InChIKeyHXAUJHZZPCBFPN-QGZVFWFLSA-N
Compound NameM-2698
Canonical SMILESNC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.72
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB15431
Drug NameM-2698
CAS Number1379545-95-5
Groups investigational
ATC Codes nan
DescriptionM-2698 is under investigation in clinical trial NCT01971515 (First-in-Human Dose Escalation Trial in Subjects With Advanced Malignancies).
Cross-references: ChemSpider: 68054457 PDB: 1SK
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P23443 RPS6KB1 Homo sapiens Human PF00069 PF00433 9.0 IC50 ChEMBL
P31749 AKT1 Homo sapiens Human PF00169 PF00069 PF00433 8.4 IC50 ChEMBL;BindingDB
Q96GD4 AURKB Homo sapiens Human PF00069 6.8 IC50 ChEMBL;BindingDB
Q9NQS7 INCENP Homo sapiens Human PF03941 PF12178 6.8 IC50 ChEMBL
DrugBank Target Actions (3)
Target Gene Target Name Action Type
P23443 RPS6KB1 Ribosomal protein S6 kinase beta-1 inhibitor targets
P31749 AKT1 RAC-alpha serine/threonine-protein kinase inhibitor targets
Q9Y243 AKT3 RAC-gamma serine/threonine-protein kinase inhibitor targets