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

CHEMBL3085499

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

Basic Information

ChEMBL ID CHEMBL3085499
Phase Preclinical
Structure Type MOL
InChI Key PNAVREZHFIPZLN-VKPOMUGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
4.74
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.76
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 C21H34O2
MW 318.50
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.48

Literature References

PubMed DOI Target Context # Activities
1895297 10.1021/jm00113a015 Sodium/potassium-transporting ATPase 1

Data from ChEMBL 36 via Core Engine