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Compound Detail

CHEMBL5843513

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CCN1CCN(c2cc(S(=O)(=O)n3cc(C(F)F)c4ccc(Cl)cc43)ccc2OC)CC1

Basic Information

ChEMBL ID CHEMBL5843513
Phase Preclinical
Structure Type MOL
InChI Key NPYDOULMJMEOMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.0
MW (Da)
4.62
ALogP
6
HBA
0
HBD
54.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClF2N3O3S
MW 483.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 9.89 9.89 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine