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

CHEMBL424816

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
c1ccc2cc(CC[C@H]3CCC[C@@H](CCc4ccc5ccccc5c4)N3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424816
Phase Preclinical
Structure Type MOL
InChI Key WRVWWMVDMLSBEJ-ISILISOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.6
MW (Da)
7.07
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N
MW 393.57
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor; alpha4/beta2 1
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor subunit alpha-7 1
16107155 10.1021/jm0501228 Synaptic vesicular amine transporter 1

Data from ChEMBL 36 via Core Engine