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Compound Detail

CHEMBL93254

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CCCN1CCC[C@@H](c2cccc(NS(=O)(=O)C(F)(F)F)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93254
Phase Preclinical
Structure Type MOL
InChI Key SWFXFUUQMZDQAK-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21F3N2O2S
MW 350.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
8064801 10.1021/jm00043a013 5-hydroxytryptamine receptor 1A 2
8064801 10.1021/jm00043a013 Rattus norvegicus 2
8064801 10.1021/jm00043a013 D(2) dopamine receptor 1
8064801 10.1021/jm00043a013 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine