Compound Detail

CHEMBL1230122

R-1487

Phase I

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 I

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1230122
Name	R-1487
Phase	Phase I
Structure Type	MOL
InChI Key	KKKRKRMVJRHDMG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

388.4

MW (Da)

2.99

ALogP

HBA

HBD

78.3

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C19H18F2N4O3
MW	388.37
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.15

Activity Summary

Kd 12 meas. best 9.7

Ki 8 meas. best 7.6

EC50 3 meas. best 8.0

IC50 3 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	Kd	9.7	9.7	0.2	1
Mitogen-activated protein kinase 10 CHEMBL2637	Kd	8.52	8.52	3.0	1
Serine/threonine-protein kinase NLK CHEMBL5364	Kd	8.22	8.22	6.0	1
Mitogen-activated protein kinase 9 CHEMBL4179	Kd	8.05	8.05	9.0	1
Mitogen-activated protein kinase 14 CHEMBL260	IC50	8.0	8.0	10.0	1
Rattus norvegicus CHEMBL376	EC50	8.0	7.74	10.0	3
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	7.6	7.6	25.1	1
Mitogen-activated protein kinase 8 CHEMBL2276	Kd	7.54	7.54	29.0	1
Mitogen-activated protein kinase 11 CHEMBL3961	Kd	7.54	7.54	29.0	1
THP-1 CHEMBL614245	IC50	7.33	7.33	47.0	1
Ribosomal protein S6 kinase alpha-4 CHEMBL3125	Kd	7.14	7.14	73.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	7.0	7.0	100.0	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Kd	6.82	6.82	150.0	1
Blood CHEMBL613416	IC50	6.77	6.77	170.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	6.57	6.57	270.0	1
Atypical kinase COQ8A, mitochondrial CHEMBL5550	Kd	6.5	6.5	320.0	1
Serine/threonine-protein kinase 36 CHEMBL4312	Kd	6.48	6.48	330.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	6.17	6.17	680.0	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	6.0	6.0	1000.0	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	5.7	5.7	1995.3	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	5.6	5.6	2511.9	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	5.5	5.5	3162.3	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.2	5.2	6309.6	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	29400.0	ng.hr.mL-1	Macaca fascicularis
CL	3.05	mL.min-1.kg-1	Macaca fascicularis
Cmax	4016.79	nM	Macaca fascicularis
F	51.6	%	Macaca fascicularis
T1/2	22.5	hr	Macaca fascicularis
Tmax	4.67	hr	Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	Kd	=	0.2	nM	9.7	Inhibition of p38alpha	21375264
Mitogen-activated protein kinase 10	Kd	=	3.0	nM	8.52	Inhibition of JNK3	21375264
Serine/threonine-protein kinase NLK	Kd	=	6.0	nM	8.22	Inhibition of NLK	21375264
Mitogen-activated protein kinase 9	Kd	=	9.0	nM	8.05	Inhibition of JNK2	21375264
Mitogen-activated protein kinase 14	IC50	=	10.0	nM	8.0	Inhibition of human recombinant p38alpha assessed as incorporation of 33P from g...	21375264
Rattus norvegicus	EC50	=	10.0	nM	8.0	Inhibition of LPS-induced IL-6 production in po dosed rat serum administered 30 ...	21375264
Rattus norvegicus	EC50	=	20.0	nM	7.7	Inhibition of TNF-alpha-induced IL-6 production in po dosed rat plasma administe...	21375264
Mitogen-activated protein kinase 9	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 11	Kd	=	29.0	nM	7.54	Inhibition of P38beta	21375264
Mitogen-activated protein kinase 8	Kd	=	29.0	nM	7.54	Inhibition of JNK1	21375264
Rattus norvegicus	EC50	=	30.0	nM	7.52	Inhibition of LPS-induced TNFalpha production in po dosed rat serum administered...	21375264
THP-1	IC50	=	47.0	nM	7.33	Inhibition of LPS-induced TNFalpha production in human THP1 cells after 2 hrs by...	21375264
Ribosomal protein S6 kinase alpha-4	Kd	=	73.0	nM	7.14	Inhibition of RSK4	21375264
Mitogen-activated protein kinase 8	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-3	Kd	=	150.0	nM	6.82	Inhibition of RSK2	21375264
Blood	IC50	=	170.0	nM	6.77	Inhibition of TNFalpha-induced IL1-beta production in human whole blood after 2 ...	21375264
Epithelial discoidin domain-containing receptor 1	Kd	=	270.0	nM	6.57	Inhibition of DDR1	21375264
Atypical kinase COQ8A, mitochondrial	Kd	=	320.0	nM	6.5	Inhibition of ADCK3	21375264
Serine/threonine-protein kinase 36	Kd	=	330.0	nM	6.48	Inhibition of STK36	21375264
Cyclin-G-associated kinase	Kd	=	680.0	nM	6.17	Inhibition of GAK	21375264

Literature References

PubMed	DOI	Target Context	# Activities
21375264	10.1021/jm101423y	Rattus norvegicus	8
21375264	10.1021/jm101423y	Cynomolgus monkey	7
21375264	10.1021/jm101423y	Mitogen-activated protein kinase 14	3
21375264	10.1021/jm101423y	Ribosomal protein S6 kinase alpha-3	2
-	10.6019/CHEMBL3301361	No relevant target	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
21375264	10.1021/jm101423y	Plasma	2
21375264	10.1021/jm101423y	Caco-2	2
21375264	10.1021/jm101423y	Serine/threonine-protein kinase 36	2
21375264	10.1021/jm101423y	Ribosomal protein S6 kinase alpha-4	2
21375264	10.1021/jm101423y	Serine/threonine-protein kinase NLK	2
21375264	10.1021/jm101423y	Mitogen-activated protein kinase 10	2
21375264	10.1021/jm101423y	Mitogen-activated protein kinase 9	2
21375264	10.1021/jm101423y	Mitogen-activated protein kinase 8	2
21375264	10.1021/jm101423y	Cyclin-G-associated kinase	2
21375264	10.1021/jm101423y	Epithelial discoidin domain-containing receptor 1	2
21375264	10.1021/jm101423y	Casein kinase I isoform epsilon	2
21375264	10.1021/jm101423y	Atypical kinase COQ8A, mitochondrial	2
21375264	10.1021/jm101423y	Mitogen-activated protein kinase 11	2
21375264	10.1021/jm101423y	Blood	1

Data from ChEMBL 36 via Core Engine