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Compound Detail

CHEMBL4539630

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Clc1cccc(N2CCN(CCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4539630
Phase Preclinical
Structure Type MOL
InChI Key KXODHLUXTAJVQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
4.98
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.36
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 C26H26Cl2N6
MW 493.44
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.67

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