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Compound Detail

CHEMBL4472139

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Clc1ccc(N2CCN(CCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472139
Phase Preclinical
Structure Type MOL
InChI Key FKDXEVQWZJEIRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

459.0
MW (Da)
4.33
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.41
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 C26H27ClN6
MW 459.00
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.74

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