Compound Detail
CHEMBL190656
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Basic Information
| ChEMBL ID | CHEMBL190656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQJBXJITVVXFJG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
187.3
MW (Da)
1.86
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.07 | 4.645 | 8560.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8560.0 | nM | 5.07 | Inhibition of [3H]gabapentin binding to pig brain membranes | 15801823 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of [3H]leucine uptake into CHO cells by L-amino acid transporters | 15801823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801823 | 10.1021/jm049762l | Unchecked | 2 |
| 15801823 | 10.1021/jm049762l | Mus musculus | 1 |
| 15801823 | 10.1021/jm049762l | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine