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Compound Detail

CHEMBL1570364

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CCN=c1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1570364
Phase Preclinical
Structure Type MOL
InChI Key KQFRMXRIJMTJPE-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.7
MW (Da)
4.62
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrClNO2
MW 392.68
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 IC50 5.51 5.51 3106.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor IC50 = 3106.81 nM 5.51 PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... -

Data from ChEMBL 36 via Core Engine