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Compound Detail

CHEMBL202915

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CC(=O)N1Cc2ccc(C(N)=O)cc2CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL202915
Phase Preclinical
Structure Type MOL
InChI Key CZYFKRKYUWJFNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.44
ALogP
2
HBA
1
HBD
63.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
17-beta-hydroxysteroid dehydrogenase type 3
CHEMBL4234
IC50 5.53 5.53 2980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
17-beta-hydroxysteroid dehydrogenase type 3 IC50 = 2980.0 nM 5.53 Inhibition of 17beta-HSD3 by SEAP assay 16386902

Literature References

PubMed DOI Target Context # Activities
16386902 10.1016/j.bmcl.2005.12.039 17-beta-hydroxysteroid dehydrogenase type 3 2

Data from ChEMBL 36 via Core Engine