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

CHEMBL503959

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
CCCC1(O)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503959
Phase Preclinical
Structure Type MOL
InChI Key SEFJJPZJVPVBQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
2.97
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22O
MW 194.32
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
18947998 10.1016/j.bmcl.2008.10.003 Glutamate NMDA receptor 2
18947998 10.1016/j.bmcl.2008.10.003 Unchecked 1
18947998 10.1016/j.bmcl.2008.10.003 H2N2 subtype 1
18947998 10.1016/j.bmcl.2008.10.003 Influenza B virus 1
18947998 10.1016/j.bmcl.2008.10.003 MDCK 1

Data from ChEMBL 36 via Core Engine