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Compound Detail

CHEMBL372649

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CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372649
Phase Preclinical
Structure Type MOL
InChI Key GOZACAOMDPYIPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
7.77
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H33NO2
MW 475.63
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Follicle-stimulating hormone receptor
CHEMBL2024
 IC50 6.78 6.78 166.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Follicle-stimulating hormone receptor IC50 = 166.0 nM 6.78 In vitro inhibition of maximum response on CHO-K1 cells expressing human Follicl... 15771412

Literature References

PubMed DOI Target Context # Activities
15771412 10.1021/jm049676l Follicle-stimulating hormone receptor 1

Data from ChEMBL 36 via Core Engine