Compound Detail
CHEMBL42671
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Basic Information
| ChEMBL ID | CHEMBL42671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCDGSBVHIDOEAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
631.0
MW (Da)
8.55
ALogP
6
HBA
4
HBD
48.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31300.0 | nM | 4.5 | Concentration producing half maximal displacement of [3H]NPY specific binding fr... | 7913507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7913507 | 10.1021/jm00040a018 | Unchecked | 2 |
| 2999398 | 10.1021/jm00149a017 | Adrenergic receptor alpha | 1 |
| 7913507 | 10.1021/jm00040a018 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine