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Compound Detail

CHEMBL5870590

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Oc1cccc2c1[C@@H](c1ccc(OCCN3CC(CF)C3)cc1)[C@@H](c1ccccc1)CC2

Basic Information

ChEMBL ID CHEMBL5870590
Phase Preclinical
Structure Type MOL
InChI Key XWISDJVNQVTQCH-VPUSJEBWSA-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 -0.04

Activity Summary

EC50 1 meas. best 7.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
EC50 7.53 7.53 29.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 29.8 nM 7.53 Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... -

Data from ChEMBL 36 via Core Engine