Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3137998

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CSC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3137998
Phase Preclinical
Structure Type MOL
InChI Key BVZDNWZNRKGVHD-NWWWSWJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.6
MW (Da)
5.33
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38O2S
MW 378.62
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.76

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