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Compound Detail

CHEMBL3692992

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COc1cc(S(=O)(=O)c2ccsc2)cc2c3c(oc12)CCNC3

Basic Information

ChEMBL ID CHEMBL3692992
Phase Preclinical
Structure Type MOL
InChI Key NFIONSMYALWINU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
2.98
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.79
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 C16H15NO4S2
MW 349.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 9.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.57 9.57 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine