Compound Detail
CHEMBL3683703
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CCCCCN([C@H](CO)CCC(F)(F)CNC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(CO)cc1
Basic Information
| ChEMBL ID | CHEMBL3683703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLAFSHNYQROSKH-NYDCQLBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
689.8
MW (Da)
4.81
ALogP
7
HBA
4
HBD
145.3
PSA (Ų)
0.13
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gag-Pol polyprotein CHEMBL3638360 | IC50 | 10.72 | 10.72 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gag-Pol polyprotein | IC50 | = | 0.019 | nM | 10.72 | Inhibition Assay: Assays for the inhibition of acute HIV infection of T-lymphoid... | - |
Data from ChEMBL 36 via Core Engine