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

CHEMBL4530231

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
c1ccc(C(c2ccccc2)c2nnnn2CCN2CCN(c3ccccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4530231
Phase Preclinical
Structure Type MOL
InChI Key BPYCJADXSLKPNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.07
ALogP
7
HBA
0
HBD
63.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7
MW 425.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
27647372 10.1016/j.bmc.2016.09.005 Sodium-dependent dopamine transporter 1
27647372 10.1016/j.bmc.2016.09.005 Sodium-dependent serotonin transporter 1
27647372 10.1016/j.bmc.2016.09.005 Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine