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Compound Detail

CHEMBL5962014

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Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5962014
Phase Preclinical
Structure Type MOL
InChI Key TUPRCIBYJZUDRB-IAPPQJPRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
5.53
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30FNO2
MW 431.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.01

Activity Summary

EC50 1 meas. best 9.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 EC50 9.43 9.43 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 0.371 nM 9.43 Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... -

Data from ChEMBL 36 via Core Engine