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

CHEMBL471696

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
Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(-c4ccc(Cl)cc4)no2)N3C)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471696
Phase Preclinical
Structure Type MOL
InChI Key GDSLVFLGCFUFPN-KHQMHLGISA-N
Parent Compound CHEMBL1186594
Active Moiety CHEMBL1186594
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
6.04
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26Cl2N2O
MW 429.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent dopamine transporter
CHEMBL238
 IC50 8.06 8.06 8.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium-dependent dopamine transporter IC50 = 8.74 nM 8.06 Displacement of [3H]WIN-35428 from DAT 18556210

Literature References

PubMed DOI Target Context # Activities
18556210 10.1016/j.bmc.2008.05.073 Sodium-dependent dopamine transporter 1
18556210 10.1016/j.bmc.2008.05.073 Sodium-dependent noradrenaline transporter 1
18556210 10.1016/j.bmc.2008.05.073 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine