Compound Detail
CHEMBL604398
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C[C@@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL604398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCRRZRVLEHSTSZ-OWBHPXMMSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.2
MW (Da)
-1.24
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6292418 | 10.1021/jm00352a016 | Adenylate kinase 2, mitochondrial | 1 |
| 6292418 | 10.1021/jm00352a016 | Adenylate kinase isoenzyme 1 | 1 |
| 6292418 | 10.1021/jm00352a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine