Compound Detail
CHEMBL497004
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CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)c2ccccc2)C(N)=O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL497004 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KPSNFWJYWVPDCQ-GNKBHMEESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
2.63
ALogP
5
HBA
5
HBD
147.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Motilin receptor CHEMBL5306 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Motilin receptor CHEMBL5306 | Kd | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Motilin receptor | IC50 | = | 12.0 | nM | 7.92 | Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate | 19481451 |
| Motilin receptor | Kd | = | 15.85 | nM | 7.8 | Antagonist activity at MTL receptor in rabbit duodenum homogenate | 19481451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19481451 | 10.1016/j.bmcl.2009.05.059 | Motilin receptor | 2 |
Data from ChEMBL 36 via Core Engine