Compound Detail

CHEMBL1968789

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C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1968789
Phase	Preclinical
Structure Type	MOL
InChI Key	YEIYHBVAYULOAK-PZFQXLDKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

357.4

MW (Da)

2.90

ALogP

HBA

HBD

103.5

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.55

EC50 3 meas. best 5.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Zinc finger protein mex-5 CHEMBL1293319	EC50	5.57	5.57	2678.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.55	5.54	2814.6	2
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	4.79	4.79	16100.0	1
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212	IC50	4.5	4.365	31900.0	2
RNA-binding protein pos-1 CHEMBL1293304	EC50	4.39	4.39	40583.0	1
Unchecked CHEMBL612545	EC50	4.34	4.34	45400.0	1
Unchecked CHEMBL612545	IC50	4.3	4.3	49564.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Zinc finger protein mex-5	EC50	=	2678.0	nM	5.57	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	2814.59	nM	5.55	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	2939.0	nM	5.53	PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do...	-
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	16100.0	nM	4.79	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	31900.0	nM	4.5	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
RNA-binding protein pos-1	EC50	=	40583.0	nM	4.39	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Unchecked	EC50	=	45400.0	nM	4.34	PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the...	-
Unchecked	IC50	=	49564.0	nM	4.3	PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to...	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	58300.0	nM	4.23	PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de...	-

Data from ChEMBL 36 via Core Engine