Compound Detail
CHEMBL128369
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Cc1ccc(-c2c3n(c(=O)c4ncccc24)C[C@@H](C)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1
Basic Information
| ChEMBL ID | CHEMBL128369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJBUKQBYUYWWMO-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
6.70
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.28 | nM | 9.55 | Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]BH-SP bi... | 10508446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508446 | 10.1021/jm990220r | Cavia porcellus | 4 |
| 10508446 | 10.1021/jm990220r | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine