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Compound Detail

CHEMBL5999411

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CC1Cc2cc3[nH]ncc3cc2C(c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5999411
Phase Preclinical
Structure Type MOL
InChI Key VNHTXUNIHQPZSK-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.02
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24F3N3O2
MW 443.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 8.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled estrogen receptor 1
CHEMBL5872
 IC50 8.73 8.73 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled estrogen receptor 1 IC50 = 1.88 nM 8.73 Biological Assay: The compounds of the present invention have an inhibition effe... -

Data from ChEMBL 36 via Core Engine