Compound Detail
CHEMBL88174
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CC(C)c1cccc(C(C)C)c1N(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL88174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGWZSYKZXCUDPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
6.87
ALogP
2
HBA
3
HBD
77.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-B receptor CHEMBL3636 | Ki | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-B receptor | Ki | = | 260.0 | nM | 6.58 | Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00481-7 | Neuromedin-B receptor | 1 |
| - | 10.1016/0960-894X(96)00481-7 | Gastrin-releasing peptide receptor | 1 |
Data from ChEMBL 36 via Core Engine