Compound Detail
CHEMBL4741670
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CCCC[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H](NC(=S)CNC)C(C)(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL4741670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZXSDLFLQDLPKZ-SOAMZJECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.7
MW (Da)
2.86
ALogP
4
HBA
3
HBD
73.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ghrelin O-acyltransferase CHEMBL1255134 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ghrelin O-acyltransferase | IC50 | = | 30.0 | nM | 7.52 | 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