Compound Detail
CHEMBL12139
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Basic Information
| ChEMBL ID | CHEMBL12139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POBHSIBPAUVFGC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.42
ALogP
6
HBA
2
HBD
106.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.85 | 5.425 | 1412.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 1412.54 | nM | 5.85 | Dilator activity expressed as potency for relaxation of Aortic rings precontract... | 11855989 |
| Rattus norvegicus | EC50 | = | 10000.0 | nM | 5.0 | Dilator activity expressed as potency for relaxation of Tracheal strips percontr... | 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