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Compound Detail

CHEMBL425999

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C[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1CC[C@]13C(=O)C4[C@@H](C[C@@H]12)[C@]4(C)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425999
Phase Preclinical
Structure Type MOL
InChI Key OSPJXUMTYQEFCO-NQOLOCBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.17
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.75
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 C20H26O4
MW 330.42
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 3.61

Literature References

PubMed DOI Target Context # Activities
17547457 10.1021/np0603976 Aorta 1
17547457 10.1021/np0603976 HeLa 1

Data from ChEMBL 36 via Core Engine