3,13-Diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20,23-decaene-12,14-dione

InChIKey	`HVVKFYHINSILFO-UHFFFAOYSA-N`
Compound Name	3,13-Diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20,23-decaene-12,14-dione
Canonical SMILES	`O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	11
Pfam Stratification	Cross-Family
Avg pChEMBL	6.59
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P11802	CDK4	Homo sapiens	Human	PF00069	7.3	IC50	ChEMBL;BindingDB
P24385	CCND1	Homo sapiens	Human	PF02984 PF00134	7.3	IC50	ChEMBL
O96020	CCNE2	Homo sapiens	Human	PF02984 PF00134	6.6	IC50	ChEMBL
P24864	CCNE1	Homo sapiens	Human	PF02984 PF00134	6.6	IC50	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	6.6	pIC50	TTD_MultiTarget
P80192	MAP3K9	Homo sapiens	Human	PF07714 PF14604	6.5	IC50	ChEMBL;BindingDB
Q16584	MAP3K11	Homo sapiens	Human	PF07714 PF14604	6.5	IC50	ChEMBL;BindingDB
P06493	CDK1	Homo sapiens	Human	PF00069	6.4	pIC50	TTD_MultiTarget
O95067	CCNB2	Homo sapiens	Human	PF02984 PF00134	6.2	IC50	ChEMBL
P14635	CCNB1	Homo sapiens	Human	PF02984 PF00134	6.2	IC50	ChEMBL
Q8WWL7	CCNB3	Homo sapiens	Human	PF02984 PF00134	6.2	IC50	ChEMBL