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Compound Detail

CHEMBL3692995

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COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3

Basic Information

ChEMBL ID CHEMBL3692995
Phase Preclinical
Structure Type MOL
InChI Key GKVYMGVJYNRNLQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.9
MW (Da)
3.57
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.76
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 C18H16ClNO4S
MW 377.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.81

Activity Summary

Ki 1 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 10.3 10.3 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine