Compound Detail
CHEMBL3683702
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COC(=O)N[C@H](C(=O)NCC(F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3683702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNXOEZSAZJHUSW-GJXOXSOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
4.46
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gag-Pol polyprotein CHEMBL3638360 | IC50 | 10.52 | 8.57 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gag-Pol polyprotein | IC50 | = | 0.03 | nM | 10.52 | Inhibition Assay: Assays for the inhibition of acute HIV infection of T-lymphoid... | - |
| Gag-Pol polyprotein | IC50 | = | 240.0 | nM | 6.62 | Inhibition Assay: Assays for the inhibition of acute HIV infection of T-lymphoid... | - |
Data from ChEMBL 36 via Core Engine