Compound Detail
CHEMBL1630842
BILR 355 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1630842 |
| Name | BILR 355 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BEMBRAMZGVDPMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
30
PK Parameters
10
Publications
1
Known Names
1
Indications
1
Mechanisms
Molecular Properties
441.5
MW (Da)
3.63
ALogP
6
HBA
0
HBD
85.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase inhibitor | INHIBITOR | Human immunodeficiency virus type 1 reverse transcriptase | ✓ | ✓ |
Indications
HIV Infections
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7970.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 11700.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 12100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7480.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 6540.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 5800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 4140.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1680.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 615.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 11800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 12300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7630.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 6800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 5960.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 4340.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1960.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 707.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 763.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 406.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 128.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 56.2 | ng.hr.mL-1 | Homo sapiens |
| AUC | 13.6 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1310.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 779.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 419.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 142.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 71.8 | ng.hr.mL-1 | Homo sapiens |
| AUC | 36.3 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of HIV reverse transcriptase | 25127466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824608 | 10.1128/aac.00363-08 | Homo sapiens | 300 |
| 18824608 | 10.1128/aac.00363-08 | ADMET | 15 |
| 22393121 | 10.1124/dmd.111.044362 | ADMET | 9 |
| 22393121 | 10.1124/dmd.111.044362 | Liver microsome | 3 |
| 22268494 | 10.1021/jm200990c | Human immunodeficiency virus 1 | 2 |
| 22393121 | 10.1124/dmd.111.044362 | Liver cytosol | 2 |
| 22393121 | 10.1124/dmd.111.044362 | Cytochrome P450 3A4 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 18824608 | 10.1128/aac.00363-08 | Cytochrome P450 3A4 | 1 |
| 25127466 | 10.1016/j.bmc.2014.07.018 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine