Compound Detail
CHEMBL350301
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CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)S(=O)(=O)c1ccc(N)cc1
Basic Information
| ChEMBL ID | CHEMBL350301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POZMOLJVHGBVQU-FICKONGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
595.8
MW (Da)
2.83
ALogP
8
HBA
3
HBD
156.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 1.5 | nM | 8.82 | Inhibitory activity against HIV-1 protease | 9871583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871583 | 10.1016/s0960-894x(98)00098-5 | Human immunodeficiency virus type 1 protease | 1 |
| 9871583 | 10.1016/s0960-894x(98)00098-5 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine