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Compound Detail

CHEMBL4864338

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O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21

Basic Information

ChEMBL ID CHEMBL4864338
Phase Preclinical
Structure Type MOL
InChI Key ZIVNSLSBRMRVPD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.85
ALogP
6
HBA
1
HBD
67.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F3N4O2S
MW 460.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34467765 10.1021/acs.jmedchem.1c00224 5-hydroxytryptamine receptor 6 2

Data from ChEMBL 36 via Core Engine