Compound Detail
CHEMBL130508
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Basic Information
| ChEMBL ID | CHEMBL130508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATTKOEYZWPYIFX-ZZXKWVIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.1
MW (Da)
3.30
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 250.0 | nM | 6.6 | The dissociation constant was measured as binding affinity to P-Glycoprotein C-t... | 9767651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767651 | 10.1021/jm9810194 | Unchecked | 1 |
| 9767651 | 10.1021/jm9810194 | NON-PROTEIN TARGET | 1 |
| 18024139 | 10.1016/j.bmc.2007.10.093 | Liver | 1 |
| 18024139 | 10.1016/j.bmc.2007.10.093 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine