Compound Detail
CHEMBL74166
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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(cc2)OCCCNC(=O)[C@H](C(C)C)NC1=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL74166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLCKUBUGOFHCRF-RHIIWVEJSA-N |
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
801.0
MW (Da)
1.44
ALogP
9
HBA
8
HBD
224.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 8.22 | 7.4222 | 6.0 | 9 |
| Feline immunodeficiency virus CHEMBL613744 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206463 | 10.1016/s0960-894x(00)00641-7 | Human immunodeficiency virus type 1 protease | 9 |
| 11206463 | 10.1016/s0960-894x(00)00641-7 | Feline immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine