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Compound Detail

CHEMBL1783908

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c1c(OCCCN2CCCCC2)noc1CN1CCOCC1

Basic Information

ChEMBL ID CHEMBL1783908
Phase Preclinical
Structure Type MOL
InChI Key ADLWZDMYNOGVRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
1.76
ALogP
6
HBA
0
HBD
51.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N3O3
MW 309.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.97

Activity Summary

Ki 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 7.07 7.07 85.0 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