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Compound Detail

CHEMBL16348

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Cc1ccc(NC(=O)OCCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL16348
Phase Preclinical
Structure Type MOL
InChI Key QKINJAZGTQGWJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.90
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O2
MW 259.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.96 7.96 11.0 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