Compound Detail
CHEMBL146885
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Basic Information
| ChEMBL ID | CHEMBL146885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNCLFEXCOZZGBL-URXFXBBRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.55
ALogP
5
HBA
2
HBD
59.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 0.05012 | nM | 10.3 | Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ov... | 8544174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544174 | 10.1021/jm00026a005 | Substance-P receptor | 1 |
| 8544174 | 10.1021/jm00026a005 | No relevant target | 1 |
| 8544174 | 10.1021/jm00026a005 | Mustela putorius furo | 1 |
| 8544174 | 10.1021/jm00026a005 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine