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Compound Detail

CHEMBL1079392

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C[C@]12CC[C@H](O)CC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079392
Phase Preclinical
Structure Type MOL
InChI Key OLPSAOWBSPXZEA-JIEICEMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.85
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H28O3
MW 304.43
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.70

Literature References

PubMed DOI Target Context # Activities
19845386 10.1021/jm900468p PC-12 1

Data from ChEMBL 36 via Core Engine