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Compound Detail

CHEMBL1783913

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CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)s2)CC1

Basic Information

ChEMBL ID CHEMBL1783913
Phase Preclinical
Structure Type MOL
InChI Key HOQXKGNMCZNUCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
2.90
ALogP
4
HBA
0
HBD
26.8
PSA (Ų)
0.85
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 C18H29N3OS
MW 335.52
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.98

Activity Summary

Ki 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19577344 10.1016/j.ejmech.2009.06.007 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine