Compound Detail
CHEMBL1650287
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Basic Information
| ChEMBL ID | CHEMBL1650287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODSWRTIXISBLTP-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.00
ALogP
6
HBA
1
HBD
68.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.54
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pteridine reductase 1 CHEMBL6194 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Pteridine reductase 1 CHEMBL6194 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pteridine reductase 1 | Ki | = | 2000.0 | nM | 5.7 | Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis | 21126022 |
| Pteridine reductase 1 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Leishmania major PTR1 | 21126022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21126022 | 10.1021/jm1010572 | Pteridine reductase 1 | 3 |
| 21126022 | 10.1021/jm1010572 | No relevant target | 2 |
| 21126022 | 10.1021/jm1010572 | MRC5 | 2 |
| 21126022 | 10.1021/jm1010572 | Leishmania major | 2 |
| 21126022 | 10.1021/jm1010572 | Leishmania mexicana | 2 |
| 21126022 | 10.1021/jm1010572 | Dihydrofolate reductase | 1 |
| 21126022 | 10.1021/jm1010572 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine