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Compound Detail

CHEMBL1783906

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CC(C)N1CCN(C(=S)c2ccc(CN3CCCCC3)nc2)CC1

Basic Information

ChEMBL ID CHEMBL1783906
Phase Preclinical
Structure Type MOL
InChI Key CYKIJOQYHLZFST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
2.77
ALogP
4
HBA
0
HBD
22.6
PSA (Ų)
0.78
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 C19H30N4S
MW 346.54
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.80

Activity Summary

Ki 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 8.24 8.24 5.8 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