Compound Detail
CHEMBL40378
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Basic Information
| ChEMBL ID | CHEMBL40378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQTWSOMOTYJIQP-PHDIDXHHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
139.2
MW (Da)
0.86
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 11.0 | nM | 7.96 | Binding affinity against Histamine H3 receptor | 7752184 |
| Rattus norvegicus | EC50 | = | 190.0 | nM | 6.72 | H3 agonistic activity against K+ induced histamine in slices of rat brain cortex... | 1280301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1280301 | 10.1021/jm00101a021 | Cavia porcellus | 2 |
| 7752184 | 10.1021/jm00010a003 | Histamine H3 receptor | 1 |
| 1280301 | 10.1021/jm00101a021 | Rattus norvegicus | 1 |
| 1280301 | 10.1021/jm00101a021 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine