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Compound Detail

CHEMBL111215

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Basic Information

ChEMBL ID CHEMBL111215
Phase Preclinical
Structure Type MOL
InChI Key LZHGBLUAJMICBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

143.2
MW (Da)
0.23
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.62
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 C5H9N3S
MW 143.22
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.86

Activity Summary

Kd 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H2 receptor
CHEMBL2882
Kd 4.82 4.82 15135.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H2 receptor Kd = 15135.61 nM 4.82 Compound is evaluated for histamine H2 receptor agonistic activity in guinea pig... 1507209

Literature References

PubMed DOI Target Context # Activities
1507209 10.1021/jm00095a021 Histamine H2 receptor 3
1507209 10.1021/jm00095a021 Felis catus 1

Data from ChEMBL 36 via Core Engine