Compound Detail
CHEMBL1907682
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1907682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPXQVXWPGHSEEF-VHPZEBDXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
578.8
MW (Da)
8.38
ALogP
2
HBA
4
HBD
86.0
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 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-B receptor CHEMBL3636 | Ki | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-B receptor | Ki | = | 76.0 | nM | 7.12 | 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