Compound Detail

CHEMBL152596

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Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL152596
Phase	Preclinical
Structure Type	MOL
InChI Key	RAWYMBACZSQNDD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

288.4

MW (Da)

4.24

ALogP

HBA

HBD

55.1

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.84

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.84	6.84	145.0	1
MAP kinase p38 CHEMBL2094115	IC50	6.8	6.725	159.0	2
Unchecked CHEMBL612545	IC50	6.8	6.8	159.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	IC50	=	145.0	nM	6.84	In vitro inhibitory activity determined against human mitogen-activated protein ...	14667219
MAP kinase p38	IC50	=	159.0	nM	6.8	In vitro inhibition of TNF-alpha release from LPS stimulated human peripheral bl...	14667219
Unchecked	IC50	=	159.0	nM	6.8	Anti-inflammatory activity in human PBMC cells assessed as inhibition of LPS-ind...	30542530
MAP kinase p38	IC50	=	226.0	nM	6.65	In vitro inhibition of IL1-beta release from LPS stimulated human peripheral blo...	14667219

PubMed	DOI	Target Context	# Activities
14667219	10.1021/jm030851s	MAP kinase p38	2
30542530	10.1039/C8MD00300A	Unchecked	2
14667219	10.1021/jm030851s	Mitogen-activated protein kinase 14	1

Data from ChEMBL 36 via Core Engine