Compound Detail

CHEMBL1767107

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CCc1oc2ccc(O)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1767107
Phase	Preclinical
Structure Type	MOL
InChI Key	QWHPIJVTUFQZOL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

440.1

MW (Da)

5.16

ALogP

HBA

HBD

70.7

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Solute carrier family 22 member 12 CHEMBL6120	IC50	6.72	6.72	189.0	1
Eyes absent homolog 3 CHEMBL4296245	IC50	4.39	4.39	40800.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Solute carrier family 22 member 12	IC50	=	189.0	nM	6.72	Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of ...	21449597
Eyes absent homolog 3	IC50	=	40800.0	nM	4.39	Inhibition of human Eya3 isoform 2 (127 to 573 residues) incubated for 30 mins b...	-
Eyes absent homolog 3	IC50	=	40800.0	nM	4.39	Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (12...	-
Eyes absent homolog 3	IC50	=	40800.0	nM	4.39	Inhibitory Assay: An inhibitory assay was conducted using the previously describ...	-
Eyes absent homolog 3	IC50	=	40800.0	nM	4.39	Inhibition Assay: The compounds were then tested using full-length human recombi...	-

PubMed	DOI	Target Context	# Activities
21449597	10.1021/jm1015022	Solute carrier family 22 member 12	2

Data from ChEMBL 36 via Core Engine