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Compound Detail

CHEMBL1518870

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CCOC(=O)c1cc2c(c(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c1)OCOC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1518870
Phase Preclinical
Structure Type MOL
InChI Key RHBFBVTVJSIOCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
4.37
ALogP
9
HBA
0
HBD
92.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O6S
MW 478.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 EC50 5.49 5.49 3273.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 3273.29 nM 5.49 PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... -

Data from ChEMBL 36 via Core Engine