Compound Detail
CHEMBL5913893
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Basic Information
| ChEMBL ID | CHEMBL5913893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULOUWSHZZVXAHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.04
ALogP
7
HBA
2
HBD
106.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 6.49 | 6.49 | 324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.891 | nM | 9.05 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 324.0 | nM | 6.49 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine