Compound Detail
CHEMBL337827
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Basic Information
| ChEMBL ID | CHEMBL337827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSLZWFIQKYUXHY-SJORKVTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.80
ALogP
4
HBA
3
HBD
89.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.14 | 4.14 | 72700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 72700.0 | nM | 4.14 | Vasorelaxant potency determined by inhibition of methoxamine-contracted rat aort... | 8254626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254626 | 10.1021/jm00076a027 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine