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Compound Detail

CHEMBL3692943

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O=S(=O)(c1ccc2sccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3

Basic Information

ChEMBL ID CHEMBL3692943
Phase Preclinical
Structure Type MOL
InChI Key FWOGTDBCMLLECF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
4.78
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClNO3S2
MW 403.91
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.42

Activity Summary

Ki 1 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.26 9.26 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine