Compound Detail
CHEMBL85685
CHRYSENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL85685 |
| Name | CHRYSENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDECIBYCCFPHNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
5.15
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.05 | 5.05 | 8980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 8980.0 | nM | 5.05 | Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phos... | 12773058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299644 | 10.1021/jm00164a049 | Polycyclic aromatic hydrocarbon binding protein | 1 |
| 12773058 | 10.1021/jm030061i | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 17629592 | 10.1016/j.ejmech.2007.05.007 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine