3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-1-[5-({[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}methyl)-1H-pyrazol-3-yl]urea

InChIKey	`CGHADMRBCNGDHX-LAUBAEHRSA-N`
Compound Name	3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-1-[5-({[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}methyl)-1H-pyrazol-3-yl]urea
Canonical SMILES	`O=C(Nc1cc(CN[C@H]2Cc3ccc(Cl)cc3C2)n[nH]1)Nc1cccc2c1[C@H]1CCCN1C2=O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	8
Pfam Stratification	Cross-Family
Avg pChEMBL	6.79
Source	BindingDB;ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P11802	CDK4	Homo sapiens	Human	PF00069	8.8	IC50	BindingDB
P20248	CCNA2	Homo sapiens	Human	PF02984 PF00134 PF16500	6.8	IC50	ChEMBL
P78396	CCNA1	Homo sapiens	Human	PF02984 PF00134 PF16500	6.8	IC50	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	6.7	pIC50	TTD_MultiTarget
P06493	CDK1	Homo sapiens	Human	PF00069	6.5	pIC50	TTD_MultiTarget
O95067	CCNB2	Homo sapiens	Human	PF02984 PF00134	6.3	IC50	ChEMBL
P14635	CCNB1	Homo sapiens	Human	PF02984 PF00134	6.3	IC50	ChEMBL
Q8WWL7	CCNB3	Homo sapiens	Human	PF02984 PF00134	6.3	IC50	ChEMBL