Compound Detail
CHEMBL5786336
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Basic Information
| ChEMBL ID | CHEMBL5786336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFIWMIVDCNPRTN-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
1.86
ALogP
7
HBA
2
HBD
93.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL1939 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.46 | 7.46 | 34.7 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 5.21 | 5.1433 | 6166.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 1.1 | nM | 8.96 | TBD: TBD | - |
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 7.94 | nM | 8.1 | TBD: TBD | - |
| Unchecked | IC50 | = | 34.7 | nM | 7.46 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 6166.0 | nM | 5.21 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 7762.0 | nM | 5.11 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 7762.0 | nM | 5.11 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine