Compound Detail
CHEMBL102907
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CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL102907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRKKFEDPIHQMQP-KNTRCKAVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.04
ALogP
7
HBA
1
HBD
111.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 0.59 | nM | 9.23 | Inhibition of tonic (slow) component of K+ depolarization response in guinea pig... | 3339603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3339603 | 10.1021/jm00397a005 | Voltage-gated L-type calcium channel | 1 |
| 3339603 | 10.1021/jm00397a005 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine