Compound Detail
CHEMBL264979
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CN(C)CC/C=C1/c2ccccc2COc2ccc(/C=C/C(=O)O)cc21.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL264979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWAQBOIJKKCNSP-OZCBAZSFSA-N |
| Parent Compound | CHEMBL1182766 |
| Active Moiety | CHEMBL1182766 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.06
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 29.0 | nM | 7.54 | Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H... | 1350797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1350797 | 10.1021/jm00089a020 | Rattus norvegicus | 1 |
| 1350797 | 10.1021/jm00089a020 | Cavia porcellus | 1 |
| 1350797 | 10.1021/jm00089a020 | Histamine H1 receptor | 1 |
| 1350797 | 10.1021/jm00089a020 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine