Compound Detail
CHEMBL2262739
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Basic Information
| ChEMBL ID | CHEMBL2262739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPXOMKDSNYMMTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.7
MW (Da)
2.17
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2A13 CHEMBL3542436 | Kd | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2A13 | Kd | = | 7300.0 | nM | 5.14 | Binding affinity to full length recombinant truncated non-catalytic N-terminal t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-008-9123-2 | Fatty-acid amide hydrolase 1 | 1 |
| - | 10.1007/s00044-008-9123-2 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine