Compound Detail

CHEMBL135870

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COc1ccc(N(C)C(=O)/C=C2\c3nc4ccccc4cc3C(=O)N2c2ccc(Cl)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL135870
Phase	Preclinical
Structure Type	MOL
InChI Key	MHBSCCHOLYAAGS-LFVJCYFKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

469.9

MW (Da)

5.56

ALogP

HBA

HBD

62.7

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 9.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Translocator protein CHEMBL4552	IC50	9.15	8.3363	0.7	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Translocator protein	IC50	=	0.7	nM	9.15	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (...	8863805
Translocator protein	IC50	=	0.9	nM	9.05	Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Daw...	18294852
Translocator protein	IC50	=	1.7	nM	8.77	Displacement of [3H]Ro-5-4864 from rat kidney peripheral benzodiazepine receptor	8863805
Translocator protein	IC50	=	1.9	nM	8.72	Binding affinity against peripheral benzodiazepine receptor( PBR).	8863805
Translocator protein	IC50	=	2.3	nM	8.64	Displacement of [3H]Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine...	8863805
Translocator protein	IC50	=	9.8	nM	8.01	Displacement of [3H]PK11195 from rat cerebral cortex peripheral benzodiazepine r...	8863805
Translocator protein	IC50	=	14.0	nM	7.85	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (...	8863805
Translocator protein	IC50	=	320.0	nM	6.5	Displacement of [3H]PK11195 from rat cerebral cortex peripheral benzodiazepine r...	8863805

PubMed	DOI	Target Context	# Activities
8863805	10.1021/jm960325j	Translocator protein	11
18294852	10.1016/j.bmc.2007.06.044	Translocator protein	1

Data from ChEMBL 36 via Core Engine