Compound Detail
CHEMBL5806112
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Basic Information
| ChEMBL ID | CHEMBL5806112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPARCVYMDVDWRD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
1.99
ALogP
8
HBA
2
HBD
110.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.42 | 8.28 | 3.8 | 2 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 5.85 | 5.825 | 1413.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.8 | nM | 8.42 | TBD: TBD | - |
| Unchecked | IC50 | = | 7.24 | nM | 8.14 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 1413.0 | nM | 5.85 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 1585.0 | nM | 5.8 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine