Compound Detail
CHEMBL4791105
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Basic Information
| ChEMBL ID | CHEMBL4791105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWRLMFEUPVROI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
5.13
ALogP
4
HBA
1
HBD
63.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ghrelin O-acyltransferase CHEMBL1255134 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Ghrelin O-acyltransferase CHEMBL3588729 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ghrelin O-acyltransferase | IC50 | = | 3.3 | nM | 8.48 | Inhibition of mouse GOAT expressed in baculovirus infected sf9 insect cell micro... | 33479618 |
| Ghrelin O-acyltransferase | IC50 | = | 8.6 | nM | 8.07 | Inhibition of human GOAT expressed in baculovirus infected sf9 insect cell micro... | 33479618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479618 | 10.1039/d0md00210k | Ghrelin O-acyltransferase | 2 |
Data from ChEMBL 36 via Core Engine