Compound Detail
CHEMBL314116
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Basic Information
| ChEMBL ID | CHEMBL314116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKCUJHQRKRWPFM-VYIIXAMBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
1.32
ALogP
7
HBA
5
HBD
167.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 65.0 | nM | 7.19 | Tested for the inhibition against the human dihydrofolate reductase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80736-8 | Trifunctional purine biosynthetic protein adenosine-3 | 2 |
| - | 10.1016/S0960-894X(01)80736-8 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine