Compound Detail
CHEMBL300872
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CCO/C(O)=C1\C(COCCN2CC(=O)N=C2N)=NC(C)=C(C(=O)OC)C1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL300872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKLJBBVJBVZOJE-LSDHQDQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.9
MW (Da)
2.30
ALogP
9
HBA
2
HBD
136.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 19.95 | nM | 7.7 | Concentration required to block Ca+2-induced contraction of K+ depolarized rat a... | 2342074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342074 | 10.1021/jm00168a041 | Rattus norvegicus | 1 |
| 2342074 | 10.1021/jm00168a041 | Cavia porcellus | 1 |
| 2342074 | 10.1021/jm00168a041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine