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Compound Detail

CHEMBL508034

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C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(C)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508034
Phase Preclinical
Structure Type MOL
InChI Key GAXXKXAIPLVKGB-PEDHHIEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.10
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
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 C15H20O2
MW 232.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.24

Literature References

PubMed DOI Target Context # Activities
9917276 10.1021/np980092u Unchecked 1

Data from ChEMBL 36 via Core Engine