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Compound Detail

CHEMBL16319

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CN(C)c1ccc(NC(=O)OCCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL16319
Phase Preclinical
Structure Type MOL
InChI Key KZYMQKBRVKETCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.66
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O2
MW 288.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8676353 10.1021/jm9507688 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine