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Compound Detail

CHEMBL15842

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Nc1ccc(NC(=O)OCCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL15842
Phase Preclinical
Structure Type MOL
InChI Key BLBMXSMLAZKUAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
2.17
ALogP
4
HBA
3
HBD
93.0
PSA (Ų)
0.57
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 C13H16N4O2
MW 260.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 6.45 6.45 355.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8676353 10.1021/jm9507688 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine