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Compound Detail

CHEMBL379583

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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379583
Phase Preclinical
Structure Type MOL
InChI Key NJLPSMMQNKWUSJ-GRYWWZJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.5
MW (Da)
3.77
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.79
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 C21H32O3
MW 332.48
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.42

Literature References

PubMed DOI Target Context # Activities
16722640 10.1021/jm060002f GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine