Compound Detail
CHEMBL290179
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Nc1cc(N)c(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4c(N)cc(N)cc4C(=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c(C(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL290179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJQJJOYMYIMMPA-XZQKZZLRSA-J |
| Parent Compound | CHEMBL1615819 |
| Active Moiety | CHEMBL1615819 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
696.7
MW (Da)
4.91
ALogP
14
HBA
8
HBD
336.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AIK-T4 CHEMBL614024 | EC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AIK-T4 | EC50 | = | 31000.0 | nM | 4.51 | Ability to prevent HIV-1 induced T4 cell killing and HIV-1 replication. | 7752188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752188 | 10.1021/jm00010a007 | AIK-T4 | 1 |
| 7752188 | 10.1021/jm00010a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine