Compound Detail
CHEMBL4787843
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CC1(C)C(=O)C(C#N)=C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4787843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZVXQIBHMFEQPK-KIHPVRBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.5
MW (Da)
5.29
ALogP
2
HBA
0
HBD
40.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ghrelin O-acyltransferase CHEMBL3588729 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ghrelin O-acyltransferase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human GOAT expressed in baculovirus infected sf9 insect cell membr... | 33479618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479618 | 10.1039/d0md00210k | Ghrelin O-acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine