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Compound Detail

CHEMBL1339786

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O=c1cc(-c2ccco2)oc2c1ccc1ccccc12

Basic Information

ChEMBL ID CHEMBL1339786
Phase Preclinical
Structure Type MOL
InChI Key SRVDFXLDXBTOCR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
4.21
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10O3
MW 262.26
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.17

Activity Summary

EC50 1 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
EC50 4.91 4.91 12429.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 12429.59 nM 4.91 PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... -

Data from ChEMBL 36 via Core Engine