Compound Detail
CHEMBL310839
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CC(NP(=O)(OCC1C=CC(n2cnc3c(N)ncnc32)O1)Oc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL310839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJRXJKPOXXIDMV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
3.79
ALogP
11
HBA
2
HBD
152.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 8.0 | nM | 8.1 | Compound was evaluated for antiviral activity against HIV-1 (IIIB) infected CEM ... | - |
| CCRF-CEM | EC50 | = | 8.0 | nM | 8.1 | Compound was evaluated for antiviral activity against HIV-2 (ROD) infected CEM c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00433-7 | CCRF-CEM | 3 |
| - | 10.1016/0960-894X(96)00433-7 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/0960-894X(96)00433-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine