Compound Detail
CHEMBL542649
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Basic Information
| ChEMBL ID | CHEMBL542649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNNANGOIMKALHV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191538 |
| Active Moiety | CHEMBL1191538 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
0.99
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Displacement of [3H]gabapentin from alpha2-delta subunit of calcium channel | 10476863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10476863 | 10.1016/s0960-894x(99)00383-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine