Compound Detail
CHEMBL118565
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Cc1cc(C)cc(C(=O)N[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)[C@H](Cc3ccccc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL118565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGJJHXAXGBNADU-IZZNHLLZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
6.26
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.59 | 7.59 | 25.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 25.7 | nM | 7.59 | Binding affinity was measured against the Tachykinin receptor 1 in bovine retina... | 9733486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine