Compound Detail
CHEMBL106159
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Basic Information
| ChEMBL ID | CHEMBL106159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMYPGILKDMWISO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.28
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Canis familiaris CHEMBL373 | Kd | 7.68 | 7.43 | 20.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Canis familiaris | Kd | = | 20.89 | nM | 7.68 | Compound was tested for its ability to block isoproterenol-induced vasodilation ... | 6115057 |
| Canis familiaris | Kd | = | 32.36 | nM | 7.49 | Compound was tested for its ability to block isoproterenol-induced contractile f... | 6115057 |
| Canis familiaris | Kd | = | 75.86 | nM | 7.12 | Compound was tested for its ability to block isoproterenol-induced increases in ... | 6115057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6115057 | 10.1021/jm00135a014 | Canis familiaris | 5 |
| 6115057 | 10.1021/jm00135a014 | No relevant target | 1 |
| 6115057 | 10.1021/jm00135a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine