Compound Detail
CHEMBL538003
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Basic Information
| ChEMBL ID | CHEMBL538003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBNXHSMULMVTGY-DCODBCQHSA-N |
| Parent Compound | CHEMBL1189065 |
| Active Moiety | CHEMBL1189065 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
199.3
MW (Da)
2.01
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | 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