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Compound Detail

CHEMBL441022

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CN(C)C(=O)c1ccccc1Sc1ccc(Br)cc1C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441022
Phase Preclinical
Structure Type MOL
InChI Key LRNWIRRKOVFMLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
4.11
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.77
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 C16H14BrNO2S
MW 364.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
11881994 10.1021/jm010939a Sodium-dependent serotonin transporter 1
11881994 10.1021/jm010939a Sodium-dependent dopamine transporter 1
11881994 10.1021/jm010939a Norepinephrine transporter 1

Data from ChEMBL 36 via Core Engine