Compound Detail
CHEMBL30014
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Basic Information
| ChEMBL ID | CHEMBL30014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | METWAQRCMRWDAW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
2.52
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.9
Kd 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.51 | 6.51 | 310.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.9 | 4.9 | 12589.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.9 | 4.9 | 12589.2 | 1 |
| Xenopus laevis CHEMBL613478 | EC50 | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 310.0 | nM | 6.51 | Agonist activity at GABAA assessed as enhancement of channel current | 19520579 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 12589.25 | nM | 4.9 | Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha... | 12109905 |
| Unchecked | EC50 | = | 12589.25 | nM | 4.9 | Binding affinity to apoferritin by isothermal titration calorimetry | 19520579 |
| Xenopus laevis | EC50 | = | 19952.62 | nM | 4.7 | Loss of righting reflex (LORR) in tadpoles was determined for anesthetic activit... | 12109905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7452689 | 10.1021/jm00186a013 | Mus musculus | 4 |
| 12109905 | 10.1021/jm010461a | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 19520579 | 10.1016/j.bmc.2009.05.060 | Unchecked | 2 |
| 12109905 | 10.1021/jm010461a | Xenopus laevis | 1 |
| 12109905 | 10.1021/jm010461a | No relevant target | 1 |
| 16279782 | 10.1021/jm050567w | L1210 | 1 |
Data from ChEMBL 36 via Core Engine