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Compound Detail

CHEMBL52258

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CO[C@]12CCC3(C)C(CCC[C@@]3([C@H](O)CCCN(C)C)O1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52258
Phase Preclinical
Structure Type MOL
InChI Key GSPOUNBASDQSLS-GNBAHCQZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
2.79
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H33NO3
MW 311.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.50

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00596-3 Sodium channel alpha subunits; brain (Types I, II, III) 2

Data from ChEMBL 36 via Core Engine