Compound Detail
CHEMBL486991
ddCTP SODIUM Enter ChEMBL ID:
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Nc1ccn([C@H]2CC[C@@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL486991 |
| Name | ddCTP SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOOMQRBEBYCFPP-QDOHZIMISA-M |
| Parent Compound | CHEMBL1201384 |
| Active Moiety | CHEMBL1201384 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.2
MW (Da)
-0.15
ALogP
11
HBA
5
HBD
230.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL2392 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-d... | 16038535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038535 | 10.1021/np049676o | DNA polymerase beta | 1 |
Data from ChEMBL 36 via Core Engine