Compound Detail
CHEMBL356062
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Basic Information
| ChEMBL ID | CHEMBL356062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZYPLFAASKBQBS-ICSRJNTNSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.25
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.22
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 |
| Substance-P receptor CHEMBL249 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 76.0 | % | Canis lupus familiaris |
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 |
| Substance-P receptor | IC50 | = | 0.06 | nM | 10.22 | Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ov... | 15481976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544174 | 10.1021/jm00026a005 | Substance-P receptor | 2 |
| 8544174 | 10.1021/jm00026a005 | Mustela putorius furo | 2 |
| 8544174 | 10.1021/jm00026a005 | Canis familiaris | 2 |
| 8544174 | 10.1021/jm00026a005 | No relevant target | 1 |
| 8544174 | 10.1021/jm00026a005 | ADMET | 1 |
| 15481976 | 10.1021/jm0311487 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine