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Compound Detail

CHEMBL1088422

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C[C@@]12CC=C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088422
Phase Preclinical
Structure Type MOL
InChI Key NPOXXVUZFVQYGT-DYKIIFRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
4.48
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28O
MW 272.43
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.25

Literature References

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

Data from ChEMBL 36 via Core Engine