Compound Detail
CHEMBL355539
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Basic Information
| ChEMBL ID | CHEMBL355539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXMHUJTYIQLCAN-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.86
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.13 | 4.13 | 74200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | IC50 | = | 74200.0 | nM | 4.13 | Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expresse... | 12502361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D1 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D26 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D3 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D4 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine