Compound Detail
CHEMBL1790706
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CC(C)[C@H](C(=O)N[C@H]1C(O)=Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL1790706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYULPDBFZUIZAW-CSPSPLQSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
701.9
MW (Da)
4.30
ALogP
8
HBA
7
HBD
177.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 8.3 | nM | 8.08 | Tested for the inhibition of p24 production in HIV-1 IIIB infected human periphe... | 8355256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355256 | 10.1021/jm00069a018 | Human immunodeficiency virus 1 | 2 |
| 8355256 | 10.1021/jm00069a018 | Human immunodeficiency virus type 1 protease | 1 |
| 8355256 | 10.1021/jm00069a018 | CV-1 | 1 |
Data from ChEMBL 36 via Core Engine