Compound Detail
CHEMBL4778987
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CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL4778987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDSRCLQHTMLCEV-CQJMVLFOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
-0.40
ALogP
8
HBA
8
HBD
217.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ghrelin O-acyltransferase CHEMBL1255134 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ghrelin O-acyltransferase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of N-terminal His10-tagged mouse GOAT expressed in baculovirus infect... | 33479618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479618 | 10.1039/d0md00210k | Ghrelin O-acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine