Compound Detail
CHEMBL145077
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Basic Information
| ChEMBL ID | CHEMBL145077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCAGUAUHSOJEOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
5.52
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.08 | 8.055 | 8.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 8.3 | nM | 8.08 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
| Substance-P receptor | IC50 | = | 9.3 | nM | 8.03 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 2 |
Data from ChEMBL 36 via Core Engine