9-[4-(4a,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-9-oxononanamide

InChIKey	`LBRNKEMUALCIHZ-FGHXTESNSA-N`
Compound Name	9-[4-(4a,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-9-oxononanamide
Canonical SMILES	`N=C(N)NCCC[C@@H](NC(=O)CCCCCCCC(=O)N1CCN(C2N=CN=C3NC=CC32)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	9.38
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P17612	PRKACA	Homo sapiens	Human	PF00069	10.0	Kd	ChEMBL
P22612	PRKACG	Homo sapiens	Human	PF00069	10.0	Kd	ChEMBL;BindingDB
P22694	PRKACB	Homo sapiens	Human	PF00069	10.0	Kd	ChEMBL
O75116	ROCK2	Homo sapiens	Human	PF25346 PF00069 PF08912	7.5	Kd	ChEMBL;BindingDB