Compound Detail
CHEMBL154416
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CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL154416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARBFDFUYDDALSU-GIKUREFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
702.0
MW (Da)
5.36
ALogP
7
HBA
4
HBD
123.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 2.59 | nM | 8.59 | Inhibitory activity against P2 site in HIV protease. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00086-8 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/0960-894X(96)00086-8 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/0960-894X(96)00086-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine