Compound Detail

CHEMBL302449

GO-6976

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Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL302449
Name	GO-6976
Phase	Preclinical
Structure Type	MOL
InChI Key	VWVYILCFSYNJHF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

378.4

MW (Da)

4.60

ALogP

HBA

HBD

62.8

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C24H18N4O
MW	378.44
Aromatic Rings	5
Heavy Atoms	29
NP-Likeness	-0.07

Activity Summary

Ki 45 meas. best 9.2

IC50 27 meas. best 9.15

EC50 1 meas. best 5.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	9.2	9.2	0.6	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	9.15	9.15	0.7	1
Protein kinase C gamma type CHEMBL2938	IC50	8.7	8.7	2.0	1
Protein kinase C alpha type CHEMBL299	IC50	8.7	8.59	2.0	3
Protein kinase C beta type CHEMBL3045	IC50	8.7	8.455	2.0	2
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	8.6	8.6	2.5	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Ki	8.5	8.5	3.2	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	8.47	8.2133	3.4	3
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	7.9	7.9	12.6	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	7.9	7.9	12.6	1
Aurora kinase B CHEMBL2185	Ki	7.9	7.9	12.6	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	7.8	7.8	15.8	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.8	7.8	15.8	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.8	7.8	15.8	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.8	7.8	15.8	1
Protein kinase C (PKC) CHEMBL2094266	IC50	7.7	7.7	20.0	2
Epidermal growth factor receptor CHEMBL203	Ki	7.7	7.7	19.9	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	7.7	7.7	19.9	1
Serine/threonine-protein kinase D1 CHEMBL3863	IC50	7.7	7.4933	20.0	3
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	7.6	7.6	25.1	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	7.6	7.6	25.1	1
Unchecked CHEMBL612545	IC50	7.57	7.57	27.0	1
Aurora kinase A CHEMBL4722	Ki	7.5	7.5	31.6	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.5	7.5	31.6	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.5	7.5	31.6	1
Protein kinase C gamma type CHEMBL2938	Ki	7.4	7.4	39.8	1
LIM domain kinase 1 CHEMBL3836	Ki	7.3	7.3	50.1	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	7.3	7.3	50.1	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	7.2	7.2	63.1	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	7.17	7.17	67.2	1
Aurora kinase B CHEMBL2185	IC50	7.11	7.11	77.7	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	7.1	7.1	79.4	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	7.0	7.0	100.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	7.0	7.0	100.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.0	7.0	100.0	1
Aurora kinase A CHEMBL4722	IC50	6.93	6.93	118.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.9	6.9	125.9	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.9	6.9	125.9	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.8	6.8	158.5	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	6.8	6.8	158.5	1
Protein kinase C (PKC) CHEMBL2093867	IC50	6.79	5.7433	163.2	6
Protein kinase C delta type CHEMBL2996	Ki	6.7	6.7	199.5	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	6.6	6.6	251.2	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	Ki	6.6	6.6	251.2	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.5	6.5	316.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase JAK3	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	0.7	nM	9.15	Inhibition of FLT3 (unknown origin)	32659083
Protein kinase C beta type	IC50	=	2.0	nM	8.7	Inhibition of PKCbeta	18077363
Protein kinase C gamma type	IC50	=	2.0	nM	8.7	Inhibition of PKCgamma	18077363
Protein kinase C alpha type	IC50	=	2.0	nM	8.7	Inhibition of PKCalpha	18077363
Protein kinase C alpha type	IC50	=	2.3	nM	8.64	Inhibition of PKCalpha	17395590
Ribosomal protein S6 kinase alpha-3	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Non-receptor tyrosine-protein kinase TYK2	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	3.4	nM	8.47	Inhibition of human PLK4	23829549
Serine/threonine-protein kinase PLK4	Ki	=	3.4	nM	8.47	Binding affinity to full length PLK4 (unknown origin) using (TPSDSLIYDDGLS) biot...	38199166
Protein kinase C alpha type	IC50	=	3.7	nM	8.43	Inhibition of PKCalpha by TR-FRET assay	20684591
Protein kinase C beta type	IC50	=	6.2	nM	8.21	Inhibition of PKCbeta1	17395590
3-phosphoinositide-dependent protein kinase 1	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 4	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 1	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5303304	HEK-293T	10
26254279	10.18632/oncotarget.4214	Protein kinase C (PKC)	9
-	10.6019/CHEMBL5303304	U2OS	5
10998351	10.1042/0264-6021:3510095	Unchecked	5
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
-	10.6019/CHEMBL5303304	Fibroblast	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	Insulin receptor	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
17395590	10.1074/jbc.m611907200	Unchecked	3
23398362	10.1042/bj20121418	Fibroblast growth factor receptor 3	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin E	2
23398362	10.1042/bj20121418	Ephrin type-A receptor 5	2
23398362	10.1042/bj20121418	Death-associated protein kinase 1	2
23398362	10.1042/bj20121418	Tyrosine-protein kinase Fyn	2
23398362	10.1042/bj20121418	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2

Data from ChEMBL 36 via Core Engine