Compound Detail

CHEMBL2151192

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N=C1NC2C(/N=N/c3ccc(Br)cc3)C(=N)NN2c2[nH][nH]c(=N)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2151192
Phase	Preclinical
Structure Type	MOL
InChI Key	XFESENCNLKPNLM-FMQUCBEESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

389.2

MW (Da)

1.29

ALogP

HBA

HBD

155.2

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 1 CHEMBL5233	IC50	5.34	5.34	4600.0	1
Mitogen-activated protein kinase 9 CHEMBL4179	IC50	4.85	4.545	14000.0	2
Mitogen-activated protein kinase 14 CHEMBL260	IC50	4.22	4.22	60000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 1	IC50	=	4600.0	nM	5.34	Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mi...	23002419
Mitogen-activated protein kinase 9	IC50	=	14000.0	nM	4.85	Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincuba...	23002419
Mitogen-activated protein kinase 9	IC50	=	58000.0	nM	4.24	Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins ...	23002419
Mitogen-activated protein kinase 14	IC50	=	60000.0	nM	4.22	Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated f...	23002419

PubMed	DOI	Target Context	# Activities
23002419	10.1021/ml300129b	Mitogen-activated protein kinase 9	4
23002419	10.1021/ml300129b	Mitogen-activated protein kinase 14	2
23002419	10.1021/ml300129b	Mitogen-activated protein kinase 1	2

Data from ChEMBL 36 via Core Engine