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Compound Detail

CHEMBL503691

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N#Cc1cccc(Cc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL503691
Phase Preclinical
Structure Type MOL
InChI Key YMVDRTGZDZIUGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.87
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.77
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 C11H9N3
MW 183.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.10

Activity Summary

Ki 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 6.81 6.81 154.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18433114 10.1021/jm7014149 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine