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Compound Detail

CHEMBL1077962

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CC(N)Cc1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1077962
Phase Preclinical
Structure Type MOL
InChI Key IHCJKFBOZVVXQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

213.3
MW (Da)
0.98
ALogP
3
HBA
1
HBD
60.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15NO2S
MW 213.30
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.80

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19717215 10.1016/j.ejmech.2009.07.027 Sodium-dependent serotonin transporter 4
19717215 10.1016/j.ejmech.2009.07.027 HEK293 1
19717215 10.1016/j.ejmech.2009.07.027 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine