Compound Detail
CHEMBL406037
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CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL406037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJFOFCXGUIDZLW-MGXPEAIDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
7.55
ALogP
4
HBA
4
HBD
104.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-B receptor CHEMBL3636 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-B receptor | Ki | = | 420.0 | nM | 6.38 | 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