Compound Detail
CHEMBL1202344
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Basic Information
| ChEMBL ID | CHEMBL1202344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSBTWKFGWFLEEU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL14715 |
| Active Moiety | CHEMBL14715 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.88
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 25000.0 | nM | 4.6 | Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = ... | 8487254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487254 | 10.1021/jm00061a004 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine