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Compound Detail

CHEMBL3692975

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COc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(oc12)CCNC3

Basic Information

ChEMBL ID CHEMBL3692975
Phase Preclinical
Structure Type MOL
InChI Key ZNUOGHXJVUNQSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
3.82
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F3NO5S
MW 427.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.72 9.72 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine