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Compound Detail

CHEMBL338207

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CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338207
Phase Preclinical
Structure Type MOL
InChI Key CQUZKGOGHZZCLP-GFPCDNBESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
6.36
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.59
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 C26H43NO
MW 385.64
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.44

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-oxo-5-alpha-steroid 4-dehydrogenase 1
CHEMBL1787
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-oxo-5-alpha-steroid 4-dehydrogenase 1 IC50 = 5.0 nM 8.3 Inhibition of type 1 steroid-5-alpha-reductase 7966146

Literature References

PubMed DOI Target Context # Activities
7966146 10.1021/jm00049a003 3-oxo-5-alpha-steroid 4-dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine