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Compound Detail

CHEMBL362495

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CN1CCN(C(=O)c2cc3ccsc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL362495
Phase Preclinical
Structure Type MOL
InChI Key SGZDOXGNMZGJPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.62
ALogP
3
HBA
1
HBD
39.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3OS
MW 249.34
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.65

Activity Summary

Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16366610 10.1021/jm0502081 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine