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Compound Detail

CHEMBL381331

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CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)cc(C(N)=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381331
Phase Preclinical
Structure Type MOL
InChI Key MHJZXDDQSMFDMW-ZBEGNZNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.3
MW (Da)
3.38
ALogP
3
HBA
3
HBD
98.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19Cl2N3O2
MW 392.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
16314097 10.1016/j.bmcl.2005.11.031 Sodium-dependent serotonin transporter 1
16314097 10.1016/j.bmcl.2005.11.031 Sodium-dependent dopamine transporter 1
16314097 10.1016/j.bmcl.2005.11.031 Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine