Compound Detail
CHEMBL1743876
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Basic Information
| ChEMBL ID | CHEMBL1743876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXOKPOOOZBIHRF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL284840 |
| Active Moiety | CHEMBL284840 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.64
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 8.14 | 7.325 | 7.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 7.244 | nM | 8.14 | In vitro antihistaminic activity was determined by histamine induced contraction... | 6102153 |
| Cavia porcellus | Kd | = | 309.03 | nM | 6.51 | In vitro anticholinergic activity was determined by acetylcholine induced contra... | 6102153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6102153 | 10.1021/jm00176a009 | Mus musculus | 4 |
| 6102153 | 10.1021/jm00176a009 | Cavia porcellus | 2 |
| 6102153 | 10.1021/jm00176a009 | ADMET | 1 |
| 6102153 | 10.1021/jm00176a009 | Rattus norvegicus | 1 |
| 6102153 | 10.1021/jm00176a009 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine