Compound Detail
CHEMBL3274190
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Basic Information
| ChEMBL ID | CHEMBL3274190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDMGAAYEUNWXSI-XVSDJDOKSA-M |
| Parent Compound | CHEMBL15594 |
| Active Moiety | CHEMBL15594 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
6.22
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL1075125 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A2 | Ki | = | 4700.0 | nM | 5.33 | Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli a... | 22331994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 410929 | 10.1021/jm00221a009 | Unchecked | 1 |
| 22331994 | 10.1124/dmd.111.044057 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine