Compound Detail
CHEMBL304135
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CC(C)(C)NC(=O)[C@H](CC1CCCCC1)N1CC[C@@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL304135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYITZRKIODUJNW-QRQMUESOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
4.81
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of human immunodeficiency virus type 1 (HIV-1) protease | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80071-2 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine