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Compound Detail

CHEMBL166881

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CC(C)N(C(=O)[C@@H]1C[C@@H]2CCC3C4CCC(=O)N(C)[C@@]4(C)CCC3[C@@]2(C)C1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166881
Phase Preclinical
Structure Type MOL
InChI Key VMAUAPIAAHKASV-ILADGPPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
5.11
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44N2O2
MW 416.65
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80861-1 3-oxo-5-alpha-steroid 4-dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine