Compound Detail
CHEMBL4797185
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4797185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYUGLTPVTBPKRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.73
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Pteridine reductase 1 CHEMBL6194 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4900.0 | nM | 5.31 | Inhibition of Trypanosoma brucei PTR1 using H2B as substrate preincubated for 10... | 31982652 |
| Pteridine reductase 1 | Ki | = | 12000.0 | nM | 4.92 | Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 m... | 31982652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31982652 | 10.1016/j.ejmech.2020.112047 | Unchecked | 3 |
| 31982652 | 10.1016/j.ejmech.2020.112047 | Trypanosoma brucei brucei | 3 |
| 31982652 | 10.1016/j.ejmech.2020.112047 | Pteridine reductase 1 | 1 |
Data from ChEMBL 36 via Core Engine