Compound Detail
CHEMBL161501
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Cc1cc(=O)oc2c3c(cc(OCc4ccccc4)c12)OC(C)(C)[C@H](OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL161501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APEIZPHQWSIURU-CJQLKJBRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
742.8
MW (Da)
6.59
ALogP
12
HBA
0
HBD
153.9
PSA (Ų)
0.15
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.81
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | EC50 | 5.81 | 5.81 | 1540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 1540.0 | nM | 5.81 | Inhibitory activity against HIV-1 replication in H9 lymphocytes | 11262077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262077 | 10.1021/jm000070g | H9 | 2 |
| 11262077 | 10.1021/jm000070g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine