Compound Detail
CHEMBL261551
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Basic Information
| ChEMBL ID | CHEMBL261551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQQUQVYOCGJWAX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.97
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.4 | 7.4 | 39.8 | 2 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.13 | 6.13 | 741.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 39.81 | nM | 7.4 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18357976 |
| Histamine H4 receptor | Ki | = | 39.81 | nM | 7.4 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
| Histamine H1 receptor | Ki | = | 741.31 | nM | 6.13 | Displacement of [3H]mepyramine from human histamine H1 receptor expressed in NIH... | 18357976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18357976 | 10.1021/jm7014217 | Histamine H1 receptor | 2 |
| 18357976 | 10.1021/jm7014217 | Histamine H4 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H2 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H3 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Rattus norvegicus | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine