VFVAQKKPFOPZEA-UHFFFAOYSA-N — MultiTargetDB

Molecule Details

InChIKey	`VFVAQKKPFOPZEA-UHFFFAOYSA-N`
Canonical SMILES	`Nc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Cross-Family
Avg pChEMBL	8.62
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB16652
Drug Name	Avotaciclib
CAS Number	1983983-41-0
Groups	investigational
ATC Codes	nan
Description	Avotaciclib is under investigation in clinical trial NCT03579836 (Evaluation of Safety and Efficacy in BEY1107 in Monotherapy Gemcitabine Combination in Patient With Pancreatic Cancer).

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q00535	CDK5	Homo sapiens	Human	PF00069	8.6	IC50	ChEMBL
Q15078	CDK5R1	Homo sapiens	Human	PF03261	8.6	IC50	ChEMBL;BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P06493	CDK1	Cyclin-dependent kinase 1	inhibitor	targets