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Compound Detail

CHEMBL5847295

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Oc1ccc2c(c1)CC[C@@H](C1CCOCC1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5847295
Phase Preclinical
Structure Type MOL
InChI Key DQNKERWQOKLPFN-AHKZPQOWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
4.79
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34FNO3
MW 439.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.12

Activity Summary

EC50 1 meas. best 9.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 EC50 9.79 9.79 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 0.164 nM 9.79 Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... -

Data from ChEMBL 36 via Core Engine