Compound Detail

CHEMBL363648

TAK-715

🧪 Phase II

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

🧪 Phase II

CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL363648
Name	TAK-715
Phase	Phase II
Structure Type	MOL
InChI Key	HEKAIDKUDLCBRU-UHFFFAOYSA-N

Known Names

TAK 715 Tak-715

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

399.5

MW (Da)

6.00

ALogP

HBA

HBD

54.9

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C24H21N3OS
MW	399.52
Aromatic Rings	4
Heavy Atoms	29
NP-Likeness	-1.57

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
MAP kinase p38 alpha inhibitor	INHIBITOR	Mitogen-activated protein kinase 14	✓	✓

Indications

Arthritis, Rheumatoid

Activity Summary

Ki 22 meas. best 7.6

IC50 9 meas. best 8.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	IC50	8.15	7.5175	7.1	4
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.6	7.6	25.1	1
Casein kinase I isoform delta CHEMBL2828	Ki	7.6	7.6	25.1	1
THP-1 CHEMBL614245	IC50	7.32	7.32	48.0	1
Casein kinase I isoform delta CHEMBL2828	IC50	7.11	7.11	78.0	1
Casein kinase I isoform alpha CHEMBL2793	Ki	7.0	7.0	100.0	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	7.0	7.0	100.0	1
Misshapen-like kinase 1 CHEMBL5518	Ki	7.0	7.0	100.0	1
Casein kinase I isoform epsilon CHEMBL4937	IC50	6.97	6.97	107.0	1
Receptor tyrosine-protein kinase erbB-4 CHEMBL3009	Ki	6.7	6.7	199.5	1
Mitogen-activated protein kinase 11 CHEMBL3961	IC50	6.7	6.7	200.0	1
Epidermal growth factor receptor CHEMBL203	Ki	6.7	6.7	199.5	1
MAP kinase p38 CHEMBL2094115	IC50	6.62	6.62	240.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.5	6.5	316.2	1
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.3	6.3	501.2	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.3	6.3	501.2	1
Protein-tyrosine kinase 6 CHEMBL4601	Ki	6.2	6.2	631.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	6.1	6.1	794.3	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.1	6.1	794.3	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	5.9	5.9	1258.9	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.8	5.8	1584.9	1
Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991	Ki	5.8	5.8	1584.9	1
Casein kinase I isoform gamma-3 CHEMBL5084	Ki	5.3	5.3	5011.9	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	5.3	5.3	5011.9	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	5.2	5.2	6309.6	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	1160.0	ng.hr.mL-1	Rattus norvegicus
AUC	1160.0	ng.hr.mL-1	Mus musculus
AUC	550.0	ng.hr.mL-1	Rattus norvegicus
Cmax	1476.77	nM	Mus musculus
Cmax	475.57	nM	Rattus norvegicus
F	21.1	%	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	IC50	=	7.1	nM	8.15	Inhibition of p38 alpha (unknown origin)	33601311
Mitogen-activated protein kinase 14	IC50	=	7.1	nM	8.15	In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha	16162000
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform delta	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
THP-1	IC50	=	48.0	nM	7.32	In vitro inhibitory activity against lipopolysaccharide-stimulated release of tu...	16162000
Mitogen-activated protein kinase 14	IC50	=	71.0	nM	7.15	Displacement of SKF86002 from recombinant human p38alpha by fluorescence-based a...	-
Casein kinase I isoform delta	IC50	=	78.0	nM	7.11	LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t...	-
Casein kinase I isoform alpha	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 9	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Misshapen-like kinase 1	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform epsilon	IC50	=	107.0	nM	6.97	LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t...	-
Receptor tyrosine-protein kinase erbB-4	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Epidermal growth factor receptor	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 11	IC50	=	200.0	nM	6.7	Inhibitory concentration against mitogen-activated protein kinase p38-beta	16162000
Mitogen-activated protein kinase 14	IC50	=	240.0	nM	6.62	Inhibition of recombinant human FLAG-tagged p38alpha expressed in baculovirus ex...	29291937
MAP kinase p38	IC50	=	240.0	nM	6.62	Inhibition of MAPK p38 in human THP1 cells assessed as reduction in LPS-induced ...	29291937
Mitogen-activated protein kinase 8	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform gamma-1	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
16162000	10.1021/jm050165o	ADMET	7
-	10.6019/CHEMBL5303304	U2OS	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL5303304	HEK-293T	4
-	10.6019/CHEMBL5303304	Fibroblast	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.1039/C2MD20283B	Mitogen-activated protein kinase 14	2
16162000	10.1021/jm050165o	Cytochrome P450 3A4	1
16162000	10.1021/jm050165o	Mitogen-activated protein kinase 14	1
16162000	10.1021/jm050165o	Mitogen-activated protein kinase 11	1
38157838	10.1016/j.bmc.2023.117561	Unchecked	1
16162000	10.1021/jm050165o	Mus musculus	1
16162000	10.1021/jm050165o	Mitogen-activated protein kinase 13	1
16162000	10.1021/jm050165o	Rattus norvegicus	1
16162000	10.1021/jm050165o	THP-1	1
16162000	10.1021/jm050165o	Mitogen-activated protein kinase 12	1
16162000	10.1021/jm050165o	Mitogen-activated protein kinase kinase kinase 1	1
16162000	10.1021/jm050165o	Inhibitor of nuclear factor kappa-B kinase subunit beta	1

Data from ChEMBL 36 via Core Engine