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Compound Detail

CHEMBL150703

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c1nc(CC2CCCCN2)c[nH]1

Basic Information

ChEMBL ID CHEMBL150703
Phase Preclinical
Structure Type MOL
InChI Key DLZVJIHUEYGTJF-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

165.2
MW (Da)
1.09
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N3
MW 165.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.51

Activity Summary

Ki 2 meas. best 5.94
EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
EC50 6.1 6.1 794.3 1
Histamine H3 receptor
CHEMBL264
Ki 5.94 5.94 1148.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14640553 10.1021/jm030905y Histamine H3 receptor 4
14640553 10.1021/jm030905y Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine