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Compound Detail

CHEMBL5999379

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CCc1cn(S(=O)(=O)c2ccc(OC)c(N3CCNCC3)c2)c2cc(Br)ccc12

Basic Information

ChEMBL ID CHEMBL5999379
Phase Preclinical
Structure Type MOL
InChI Key CZIJNWOZFQJWGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
3.62
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24BrN3O3S
MW 478.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine