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Compound Detail

CHEMBL3137996

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

Basic Information

ChEMBL ID CHEMBL3137996
Phase Preclinical
Structure Type MOL
InChI Key PENCANQSJPLABT-JDAACKNTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.6
MW (Da)
3.84
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H37NO3
MW 375.55
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.87

Literature References

PubMed DOI Target Context # Activities
9016329 10.1021/jm960021x GABA-A receptor; anion channel 1
9016329 10.1021/jm960021x Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine