Compound Detail
CHEMBL490984
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL490984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMWAMFHUSTZTA-KQYNXXCUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.2
MW (Da)
-1.51
ALogP
16
HBA
8
HBD
325.7
PSA (Ų)
0.15
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Rous sarcoma virus p60 v-src-induced IgG phosphorylation in tumor ... | 1479375 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of p60c-src expressed in chick embryo fibroblast | 1479375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479375 | 10.1021/np50089a001 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 1479375 | 10.1021/np50089a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine