Compound Detail
CHEMBL2386433
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Basic Information
| ChEMBL ID | CHEMBL2386433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBWISUPGDHAXIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.46
ALogP
4
HBA
1
HBD
48.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using ... | 30908048 |
| Unchecked | IC50 | = | 13400.0 | nM | 4.87 | Inhibition of N-terminal His-tagged Trypanosoma brucei pteridine reductase 1 usi... | 30908048 |
Literature References
Data from ChEMBL 36 via Core Engine