Compound Detail
CHEMBL442513
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CC1=C(C(COC(=O)c2ccc(N(C)C)cc2)OC(=O)c2ccc(N(C)C)cc2)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C(C(COC(=O)c1ccc(N(C)C)cc1)OC(=O)c1ccc(N(C)C)cc1)=C3C
Basic Information
| ChEMBL ID | CHEMBL442513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJPJSEJRKLZTII-YFTOVEINSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1219.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 5.16 | 4.64 | 7000.0 | 2 |
| Human immunodeficiency virus type 2 pol protein CHEMBL5074 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of HIV-1 protease in 5%DMSO | 1527792 |
| Human immunodeficiency virus type 2 pol protein | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of HIV-2 protease in 5%DMSO | 1527792 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of HIV-1 protease in 10% fetal calf serum(FCS) | 1527792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1527792 | 10.1021/jm00096a020 | Human immunodeficiency virus type 1 protease | 2 |
| 1527792 | 10.1021/jm00096a020 | Human immunodeficiency virus type 2 pol protein | 1 |
| 1527792 | 10.1021/jm00096a020 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine