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Compound Detail

CHEMBL6049754

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Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CC(CF)C2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6049754
Phase Preclinical
Structure Type MOL
InChI Key LWVJGDVSYXHPER-RPLLCQBOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.93
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN2O2
MW 432.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.24

Activity Summary

EC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 EC50 7.9 7.9 12.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 12.5 nM 7.9 Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... -

Data from ChEMBL 36 via Core Engine