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

CHEMBL4247560

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
O=C(NCCCN1CCN(c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4247560
Phase Preclinical
Structure Type MOL
InChI Key TXYKBPIZJBXZPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
3.33
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22Cl2N4O
MW 393.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
30007567 10.1016/j.bmc.2018.06.043 Sodium-dependent noradrenaline transporter 1
30007567 10.1016/j.bmc.2018.06.043 Sodium-dependent serotonin transporter 1
30007567 10.1016/j.bmc.2018.06.043 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine