Compound Detail
CHEMBL3670883
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Cc1cccnc1C(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Basic Information
| ChEMBL ID | CHEMBL3670883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSIMMIBPIBEVJQ-WNJJXGMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
688.7
MW (Da)
4.07
ALogP
7
HBA
4
HBD
154.7
PSA (Ų)
0.13
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV protease CHEMBL3638323 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV protease | IC50 | = | 0.503 | nM | 9.3 | Enzymatic Assay : This is a fluorometric assay based on the cleavage by protease... | - |
Data from ChEMBL 36 via Core Engine