12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole

Molecule Details

InChIKey	`VWVYILCFSYNJHF-UHFFFAOYSA-N`
Compound Name	12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole
Canonical SMILES	`Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	49
Pfam Stratification	Cross-Family
Avg pChEMBL	7.39
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB17029
Drug Name	Go-6976
CAS Number	136194-77-9
Groups	experimental
ATC Codes	nan
Description	An inhibitor of calcium-dependent isoforms of protein kinase C.[A253002,A253007]

Categories: Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Indoles Protein Kinase C, antagonists & inhibitors

Cross-references: BindingDB: 3033 ChEBI: 51913 CHEMBL302449 ChemSpider: 3381 PDB: 85X ZINC: ZINC000001554668

Target Activities (49)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P52333	JAK3	Homo sapiens	Human	PF18379 PF18377 PF17887 PF07714 PF21990	9.2	Ki	ChEMBL
P51812	RPS6KA3	Homo sapiens	Human	PF00069 PF00433	8.6	Ki	ChEMBL
P17252	PRKCA	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	8.5	IC50	ChEMBL;BindingDB
P29597	TYK2	Homo sapiens	Human	PF18379 PF18377 PF17887 PF07714 PF21990	8.5	Ki	ChEMBL
O00444	PLK4	Homo sapiens	Human	PF00069 PF18190 PF18409	8.5	Ki	ChEMBL;BindingDB
P36888	FLT3	Homo sapiens	Human	PF00047 PF07714	8.3	IC50	ChEMBL
P05771	PRKCB	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	8.2	IC50	ChEMBL;BindingDB
O15530	PDPK1	Homo sapiens	Human	PF14593 PF00069	7.9	Ki	ChEMBL
Q9NWZ3	IRAK4	Homo sapiens	Human	PF07714	7.9	Ki	ChEMBL
P06493	CDK1	Homo sapiens	Human	PF00069	7.8	Ki	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	7.8	Ki	ChEMBL
P49841	GSK3B	Homo sapiens	Human	PF00069	7.8	Ki	ChEMBL
Q00535	CDK5	Homo sapiens	Human	PF00069	7.8	Ki	ChEMBL
Q9BZL6	PRKD2	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	7.8	Ki	ChEMBL
P00533	EGFR	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	7.7	Ki	ChEMBL
P27448	MARK3	Homo sapiens	Human	PF02149 PF00069 PF00627	7.7	Ki	ChEMBL
Q08881	ITK	Homo sapiens	Human	PF00779 PF00169 PF07714 PF00017 PF00018	7.6	Ki	ChEMBL
Q7KZI7	MARK2	Homo sapiens	Human	PF02149 PF00069 PF00627	7.6	Ki	ChEMBL
Q96GD4	AURKB	Homo sapiens	Human	PF00069	7.5	IC50	ChEMBL
P51451	BLK	Homo sapiens	Human	PF07714 PF00017 PF00018	7.5	Ki	ChEMBL
P05129	PRKCG	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	7.4	IC50	ChEMBL;BindingDB
P23443	RPS6KB1	Homo sapiens	Human	PF00069 PF00433	7.3	Ki	ChEMBL
P53667	LIMK1	Homo sapiens	Human	PF00412 PF00595 PF07714	7.3	Ki	ChEMBL
O14965	AURKA	Homo sapiens	Human	PF00069	7.2	IC50	ChEMBL
Q15139	PRKD1	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	7.2	IC50	ChEMBL;BindingDB
O96013	PAK4	Homo sapiens	Human	PF00786 PF00069	7.2	Ki	ChEMBL
P49840	GSK3A	Homo sapiens	Human	PF00069	7.2	Ki	ChEMBL
O60674	JAK2	Homo sapiens	Human	PF18379 PF18377 PF17887 PF07714 PF21990	7.2	IC50	ChEMBL
O96017	CHEK2	Homo sapiens	Human	PF00498 PF00069	7.1	Ki	ChEMBL
P45983	MAPK8	Homo sapiens	Human	PF00069	7.1	Ki	ChEMBL
Q13464	ROCK1	Homo sapiens	Human	PF25346 PF00069 PF08912	7.1	Ki	ChEMBL
P11309	PIM1	Homo sapiens	Human	PF00069	7.0	Ki	ChEMBL
P11362	FGFR1	Homo sapiens	Human	PF07679 PF00047 PF07714	7.0	Ki	ChEMBL
P28482	MAPK1	Homo sapiens	Human	PF00069	7.0	Ki	ChEMBL
Q13627	DYRK1A	Homo sapiens	Human	PF00069	7.0	Ki	ChEMBL
P35916	FLT4	Homo sapiens	Human	PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	6.9	Ki	ChEMBL
P35968	KDR	Homo sapiens	Human	PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854	6.9	Ki	ChEMBL
P17612	PRKACA	Homo sapiens	Human	PF00069	6.8	Ki	ChEMBL
P17948	FLT1	Homo sapiens	Human	PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	6.8	Ki	ChEMBL
O94806	PRKD3	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.8	IC50	ChEMBL
P24723	PRKCH	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
P41743	PRKCI	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.8	IC50	ChEMBL
Q02156	PRKCE	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
Q04759	PRKCQ	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.8	IC50	ChEMBL
Q05513	PRKCZ	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.8	IC50	ChEMBL
Q05655	PRKCD	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.7	IC50	ChEMBL;BindingDB
P04626	ERBB2	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	6.6	Ki	ChEMBL
P07948	LYN	Homo sapiens	Human	PF07714 PF00017 PF00018	6.6	Ki	ChEMBL
O75116	ROCK2	Homo sapiens	Human	PF25346 PF00069 PF08912	6.5	Ki	ChEMBL

DrugBank Target Actions (6)

Target	Gene	Target Name	Action	Type
P19838	NFKB1	Nuclear factor NF-kappa-B p105 subunit	inhibitor	targets
Q00653	NFKB2	Nuclear factor NF-kappa-B p100 subunit	inhibitor	targets
Q01201	Q01201	Transcription factor RelB	inhibitor	targets
Q04206	RELA	Transcription factor p65	inhibitor	targets
Q04864	Q04864	Proto-oncogene c-Rel	inhibitor	targets
Q05513	PRKCZ	Protein kinase C zeta type	inhibitor	targets