Compound Detail
CHEMBL420503
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CNc1cc(CN2C(=O)N(Cc3ccc(F)c(NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F
Basic Information
| ChEMBL ID | CHEMBL420503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBLZUMZFBQKWIR-CKOYEXALSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
6.46
ALogP
4
HBA
3
HBD
67.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 4.909 | nM | 8.31 | Inhibitory activity of compound against HIV-1 aspartyl protease. | 12419382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419382 | 10.1016/s0960-894x(02)00741-2 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine