Compound Detail
CHEMBL537990
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Basic Information
| ChEMBL ID | CHEMBL537990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXGVLTHVXFSHLM-BHNXPWSHSA-N |
| Parent Compound | CHEMBL1189054 |
| Active Moiety | CHEMBL1189054 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.3
MW (Da)
1.62
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.38 | 6.37 | 420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 420.0 | nM | 6.38 | Binding affinity against alpha2-delta subunit of rat calcium channel | - |
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of specific binding of [3H]gabapentin to Gabapentin binding sites loc... | 9599234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10002-6 | Unchecked | 1 |
| 9599234 | 10.1021/jm970649n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine