Compound Detail
CHEMBL296748
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NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21
Basic Information
| ChEMBL ID | CHEMBL296748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDGUNPNSQYCMN-XPZBDPFPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
721.8
MW (Da)
1.50
ALogP
11
HBA
4
HBD
180.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.66
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Motilin receptor CHEMBL2203 | EC50 | 9.66 | 9.66 | 0.2 | 1 |
| Motilin receptor CHEMBL2203 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Motilin receptor | EC50 | = | 0.22 | nM | 9.66 | In vitro effective concentration towards human motilin receptor | 15027861 |
| Motilin receptor | Ki | = | 2.0 | nM | 8.7 | In vitro binding affinity towards human motilin receptor | 15027861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027861 | 10.1021/jm0304865 | Motilin receptor | 2 |
Data from ChEMBL 36 via Core Engine