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

CHEMBL41261

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
CCCN(CCC)[C@H]1CCc2cccc(C(=O)NC(C)C)c2[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41261
Phase Preclinical
Structure Type MOL
InChI Key DTWWPOHOAKPMBW-LPHOPBHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
4.37
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N2O
MW 330.52
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
7530773 10.1021/jm00001a020 Rattus norvegicus 11
7530773 10.1021/jm00001a020 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine