Compound Detail

CHEMBL1353110

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COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1353110
Phase	Preclinical
Structure Type	MOL
InChI Key	UAVZHNLWRFYHRJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

383.2

MW (Da)

3.68

ALogP

HBA

HBD

83.1

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194	IC50	6.12	6.11	760.0	2
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	5.86	5.86	1380.0	1
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546	IC50	5.13	5.13	7410.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	760.0	nM	6.12	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	800.0	nM	6.1	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	1380.0	nM	5.86	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein	IC50	=	7410.0	nM	5.13	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant...	-

Data from ChEMBL 36 via Core Engine