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Compound Detail

CHEMBL277563

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CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)C=C[C@]4(C)C3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277563
Phase Preclinical
Structure Type MOL
InChI Key QVHAICGMIITEBD-GWZHURQHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
2.74
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O2
MW 330.47
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.29

Literature References

PubMed DOI Target Context # Activities
7707319 10.1021/jm00007a013 3-oxo-5-alpha-steroid 4-dehydrogenase 1 1
7707319 10.1021/jm00007a013 3-oxo-5-alpha-steroid 4-dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine