Compound Detail
CHEMBL225429
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Basic Information
| ChEMBL ID | CHEMBL225429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YATHTDAMJIBVQL-QKMPADODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
6.10
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 57.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 57.5 | nM | 7.24 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615521 | 10.1021/jm0401457 | Cytochrome P450 26A1 | 3 |
| 15615521 | 10.1021/jm0401457 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine