(3S,6S)-6-amino-6-benzyl-N-[(2S)-1-chloro-5-(diaminomethylideneamino)pentan-2-yl]-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]pyridazine-3-carboxamide

InChIKey	`JSPAUBUYPPZXSG-BBTUJRGHSA-N`
Compound Name	(3S,6S)-6-amino-6-benzyl-N-[(2S)-1-chloro-5-(diaminomethylideneamino)pentan-2-yl]-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]pyridazine-3-carboxamide
Canonical SMILES	`N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	17
Pfam Stratification	Cross-Family
Avg pChEMBL	6.46
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P00734	F2	Homo sapiens	Human	PF00594 PF00051 PF09396 PF00089	8.9	IC50	ChEMBL;BindingDB
P08709	F7	Homo sapiens	Human	PF00008 PF14670 PF00594 PF00089	6.8	Ki	ChEMBL;BindingDB
P00742	F10	Homo sapiens	Human	PF00008 PF14670 PF00594 PF00089	6.4	Ki	ChEMBL;BindingDB
O94806	PRKD3	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.3	Ki	ChEMBL
P05129	PRKCG	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.3	Ki	ChEMBL
P05771	PRKCB	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.3	Ki	ChEMBL
P17252	PRKCA	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.3	Ki	ChEMBL
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	6.3	pIC50	TTD_MultiTarget
P24723	PRKCH	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.3	Ki	ChEMBL
P41743	PRKCI	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.3	Ki	ChEMBL
Q02156	PRKCE	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.3	Ki	ChEMBL
Q04759	PRKCQ	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.3	Ki	ChEMBL
Q05513	PRKCZ	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.3	Ki	ChEMBL
Q05655	PRKCD	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.3	Ki	ChEMBL
Q15139	PRKD1	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.3	Ki	ChEMBL
P00750	PLAT	Homo sapiens	Human	PF00008 PF00039 PF00051 PF00089	6.2	Ki	ChEMBL;BindingDB
P00749	PLAU	Homo sapiens	Human	PF00051 PF00089	6.0	Ki	ChEMBL;BindingDB