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Compound Detail

CHEMBL4248092

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O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4248092
Phase Preclinical
Structure Type MOL
InChI Key FYFRBINMOSSLGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
4.68
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.57
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 C22H23Cl2N3O2
MW 432.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.58

Literature References

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

Data from ChEMBL 36 via Core Engine