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Compound Detail

CHEMBL1078099

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CCCCCSc1ccc(C(N)CC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078099
Phase Preclinical
Structure Type MOL
InChI Key MLNFJHDSSYRDFN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.4
MW (Da)
4.38
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23NS
MW 237.41
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.75

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19717215 10.1016/j.ejmech.2009.07.027 Sodium-dependent serotonin transporter 3
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