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Compound Detail

CHEMBL134224

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CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134224
Phase Preclinical
Structure Type MOL
InChI Key ZOIUUCNFVDJSJK-BYQKQGHSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.6
MW (Da)
4.04
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.73
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 C23H38N2O2
MW 374.57
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.15

Activity Summary

IC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroid 5-alpha-reductase
CHEMBL2096664
 IC50 8.2 8.2 6.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Steroid 5-alpha-reductase IC50 = 6.3 nM 8.2 Compound was tested for the inhibitory activity against Steroid 5-alpha-reductas... 9871588

Literature References

PubMed DOI Target Context # Activities
9871588 10.1016/s0960-894x(98)00044-4 Steroid 5-alpha-reductase 1
9871588 10.1016/s0960-894x(98)00044-4 No relevant target 1

Data from ChEMBL 36 via Core Engine