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

CHEMBL410062

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
CC1(C)C(CN)C1(C(=O)N1CCc2ccccc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410062
Phase Preclinical
Structure Type MOL
InChI Key RHHBTYFKWRRJPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.13
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O
MW 320.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
18445525 10.1016/j.bmcl.2008.04.025 Sodium-dependent noradrenaline transporter 1
18445525 10.1016/j.bmcl.2008.04.025 Sodium-dependent serotonin transporter 1
18445525 10.1016/j.bmcl.2008.04.025 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine