Compound Detail
CHEMBL398463
RTP Enter ChEMBL ID:
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NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)n1
Basic Information
| ChEMBL ID | CHEMBL398463 |
| Name | RTP |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMJOCKKLRMRSEQ-AFCXAGJDSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
484.1
MW (Da)
-2.66
ALogP
13
HBA
7
HBD
283.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Dengue virus 3 nucleoside-2'O-methyltransferase | 37159959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18067241 | 10.1021/jm7009952 | Unchecked | 6 |
| 31715099 | 10.1021/acs.jmedchem.9b01062 | Cyclic GMP-AMP synthase | 4 |
| 31715099 | 10.1021/acs.jmedchem.9b01062 | Unchecked | 2 |
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
| 20964406 | 10.1021/jm100593s | Unchecked | 1 |
| 37159959 | 10.1016/j.ejmech.2023.115416 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine