Compound Detail
CHEMBL4101760
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Basic Information
| ChEMBL ID | CHEMBL4101760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXASLJDRTUFIFO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
2.02
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC | IC50 | = | 34800.0 | nM | 4.46 | Inhibition of human full length N-terminal His-tagged AICARFT expressed in Esche... | 29072452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29072452 | 10.1021/acs.jmedchem.7b01046 | Bifunctional purine biosynthesis protein ATIC | 2 |
Data from ChEMBL 36 via Core Engine