Compound Detail
CHEMBL158774
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Basic Information
| ChEMBL ID | CHEMBL158774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCMSUHYICCGPAP-HXUWFJFHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.45
ALogP
4
HBA
1
HBD
77.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.5 | 6.5 | 316.2 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 5.8 | 5.795 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 320.0 | nM | 6.5 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 316.23 | nM | 6.5 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 1600.0 | nM | 5.8 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 1621.81 | nM | 5.79 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741270 | 10.1016/j.bmcl.2003.11.032 | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine