Compound Detail
CHEMBL149914
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Basic Information
| ChEMBL ID | CHEMBL149914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJAXSQRTPSSJPO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.98
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| GABA transporter 2 CHEMBL4228 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | - |
| T1/2 | - | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 28000.0 | nM | 4.55 | Effect on glial GABA(1 uM) uptake was measured using astrocytes cultured from ce... | 10639282 |
| GABA transporter 2 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scinti... | 23398473 |
| Rattus norvegicus | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of GABA uptake into crude synaptosomes prepared from adult rat brain | 10639282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398473 | 10.1021/jm301872x | GABA transporter 2 | 3 |
| 10639282 | 10.1021/jm9904452 | Mus musculus | 2 |
| 10639282 | 10.1021/jm9904452 | ADMET | 2 |
| 10639282 | 10.1021/jm9904452 | No relevant target | 2 |
| 10639282 | 10.1021/jm9904452 | Rattus norvegicus | 1 |
| 23398473 | 10.1021/jm301872x | GABA transporter 4 | 1 |
| 23398473 | 10.1021/jm301872x | GABA transporter 3 | 1 |
| 23398473 | 10.1021/jm301872x | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine