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

CHEMBL120990

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
CN(C)CCC(O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL120990
Phase Preclinical
Structure Type MOL
InChI Key VELGOYBSKBKQFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

179.3
MW (Da)
1.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO
MW 179.26
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
10479304 10.1021/jm990286m Neuronal acetylcholine receptor 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine