Compound Detail
CHEMBL277071
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COC(=O)C(C)NP(=O)(OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1)OCC(Cl)(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL277071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMAPIZCPLXOGKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
1.96
ALogP
9
HBA
2
HBD
137.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C8166 CHEMBL614533 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C8166 | EC50 | = | 200.0 | nM | 6.7 | Ability to inhibit the replication of HIV-1 IIIB infected C8166 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80315-7 | C8166 | 2 |
| - | 10.1016/S0960-894X(00)80315-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine