Compound Detail
CHEMBL542374
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL542374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZJYJASPTUKLMF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191298 |
| Active Moiety | CHEMBL1191298 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
0.22
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2380.0 | nM | 5.62 | Inhibition of specific binding of [3H]gabapentin to Gabapentin binding sites loc... | 9599234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599234 | 10.1021/jm970649n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine