Compound Detail
CHEMBL374618
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Basic Information
| ChEMBL ID | CHEMBL374618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCQDWIKXULTIHQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.68
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.09
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2C19 CHEMBL3622 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Eyes absent homolog 3 CHEMBL4296245 | IC50 | 4.09 | 4.09 | 81100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2C19 | Ki | = | 2500.0 | nM | 5.6 | Inhibition of human CYP2C19 | 15615526 |
| Eyes absent homolog 3 | IC50 | = | 81100.0 | nM | 4.09 | Inhibition of human Eya3 isoform 2 (127 to 573 residues) incubated for 30 mins b... | - |
| Eyes absent homolog 3 | IC50 | = | 81100.0 | nM | 4.09 | Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (12... | - |
| Eyes absent homolog 3 | IC50 | = | 81100.0 | nM | 4.09 | Inhibitory Assay: An inhibitory assay was conducted using the previously describ... | - |
| Eyes absent homolog 3 | IC50 | = | 81100.0 | nM | 4.09 | Inhibition Assay: The compounds were then tested using full-length human recombi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615526 | 10.1021/jm049605m | Cytochrome P450 2C19 | 1 |
| 15615526 | 10.1021/jm049605m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine