Compound Detail
CHEMBL13095
RO-054520 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13095 |
| Name | RO-054520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVTVBCWQHDDTGB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
1
Known Names
Molecular Properties
268.3
MW (Da)
2.64
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 24.0 | nM | 7.62 | Inhibition of [3H]diazepam binding to GABA-A benzodiazepine receptor of rat brai... | 2848124 |
| Cholecystokinin receptor type A | IC50 | = | 42000.0 | nM | 4.38 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 926122 | 10.1021/jm00219a019 | Mus musculus | 4 |
| 2202830 | 10.1021/jm00171a037 | Unchecked | 3 |
| 8978853 | 10.1021/jm960536o | Translocator protein | 1 |
| 7861419 | 10.1021/jm00004a017 | GABA-A receptor; anion channel | 1 |
| 6876077 | 10.1021/jm00362a003 | Mus musculus | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | GABA-A receptor; anion channel | 1 |
| 2848124 | 10.1021/jm00120a002 | Unchecked | 1 |
| 926122 | 10.1021/jm00219a019 | Felis catus | 1 |
Data from ChEMBL 36 via Core Engine