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Compound Detail

CHEMBL192334

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CC(=O)N1c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C

Basic Information

ChEMBL ID CHEMBL192334
Phase Preclinical
Structure Type MOL
InChI Key OVWRFBGLNCIAAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
7.41
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31NO3
MW 489.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Follicle-stimulating hormone receptor
CHEMBL2024
IC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine