Compound Detail
CHEMBL3144494
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C[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3144494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHNVWAPQMTWJBU-KMRXNPHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
545.1
MW (Da)
4.35
ALogP
3
HBA
4
HBD
103.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 6400.0 | nM | 5.19 | Effective concentration required against human bombesin receptor 3 (BRS-3) in CH... | 12723954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723954 | 10.1021/jm0210921 | Neuromedin-B receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Gastrin-releasing peptide receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Bombesin receptor subtype-3 | 1 |
| 12723954 | 10.1021/jm0210921 | ADMET | 1 |
| 12723954 | 10.1021/jm0210921 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine