Compound Detail
CHEMBL607957
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Nc1nc(O)c2cc(CN(C(=O)CSCC(=O)NC3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL607957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYUXOLDYARBLBK-KPJLVZTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
782.7
MW (Da)
-1.10
ALogP
15
HBA
10
HBD
341.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | Kd | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | Kd | = | 0.25 | nM | 9.6 | Thermodynamic dissociation constant (KD) was measured upon binding to GAR TFase ... | 2709379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709379 | 10.1021/jm00125a002 | Trifunctional purine biosynthetic protein adenosine-3 | 2 |
Data from ChEMBL 36 via Core Engine