Compound Detail
CHEMBL1214140
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Basic Information
| ChEMBL ID | CHEMBL1214140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POLDZHBQJMKTKK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
3.70
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Kd 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xenopus laevis CHEMBL613478 | EC50 | 5.96 | 5.735 | 1100.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xenopus laevis | EC50 | = | 1100.0 | nM | 5.96 | Anesthetic effect on Xenopus laevis tadpole assessed as loss of spontaneous moti... | 20597506 |
| Xenopus laevis | EC50 | = | 3100.0 | nM | 5.51 | Anesthetic effect on Xenopus laevis tadpole assessed as loss of startle reflex a... | 20597506 |
| Unchecked | Kd | = | 19000.0 | nM | 4.72 | Binding affinity to horse spleen apoferritin using 1-AMA by photo-occlusion meth... | 20597506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20597506 | 10.1021/jm1004072 | Unchecked | 3 |
| 20597506 | 10.1021/jm1004072 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 20597506 | 10.1021/jm1004072 | Xenopus laevis | 2 |
| 20597506 | 10.1021/jm1004072 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine