Compound Detail
CHEMBL2170701
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2170701 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AHWBBFQVXUUXQV-KBWIMFBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
905.2
MW (Da)
3.15
ALogP
9
HBA
9
HBD
261.4
PSA (Ų)
0.04
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 7.66 | 7.66 | 22.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 22.1 | nM | 7.66 | Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7... | 22920150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22920150 | 10.1021/jm300414b | Growth hormone secretagogue receptor type 1 | 4 |
Data from ChEMBL 36 via Core Engine