Compound Detail
CHEMBL111002
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Basic Information
| ChEMBL ID | CHEMBL111002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STLDVTNEXNAGBC-SJORKVTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.73
ALogP
6
HBA
2
HBD
91.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 41000.0 | nM | 4.39 | Tested for the vasorelaxant potency in methoxamine contracted rat aorta | 7650676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650676 | 10.1021/jm00017a007 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine