Compound Detail
CHEMBL12339
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Basic Information
| ChEMBL ID | CHEMBL12339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVOBQVYJGNPWPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.71
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 3.09 | nM | 8.51 | Dilator activity expressed as potency for relaxation of Aortic rings precontract... | 11855989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855989 | 10.1021/jm010999g | Rattus norvegicus | 5 |
| 11855989 | 10.1021/jm010999g | ATP-binding cassette sub-family C member 9 | 2 |
Data from ChEMBL 36 via Core Engine