Compound Detail
CHEMBL404519
BEVIRIMAT 🧪 Phase II
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🧪 Phase II
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL404519 |
| Name | BEVIRIMAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YJEJKUQEXFSVCJ-WRFMNRASSA-N |
11
Targets
88
Activities
3
Assay Types
30
PK Parameters
20
Publications
4
Known Names
2
Indications
Molecular Properties
584.8
MW (Da)
8.14
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
HIV Infections HIV Infections
Activity Summary
EC50 59 meas. best 10.3
IC50 27 meas. best 8.0
Ki 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 10.3 | 7.5697 | 0.1 | 30 |
| H9 CHEMBL614806 | EC50 | 9.46 | 8.805 | 0.3 | 2 |
| Unchecked CHEMBL612545 | EC50 | 8.15 | 7.0147 | 7.0 | 17 |
| Gag-Pol polyprotein CHEMBL3638360 | EC50 | 8.0 | 7.014 | 10.0 | 5 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.0 | 6.9418 | 10.0 | 11 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 7.99 | 7.99 | 10.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.19 | 6.15 | 65.0 | 2 |
| MT4 CHEMBL388 | EC50 | 7.02 | 6.8033 | 96.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 5.7314 | 252.0 | 7 |
| Gag-Pol polyprotein CHEMBL3638360 | IC50 | 6.26 | 6.26 | 552.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| H9 CHEMBL614806 | IC50 | 5.16 | 5.16 | 7000.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| MT4 CHEMBL388 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| MT2 CHEMBL614184 | IC50 | 4.37 | 4.37 | 42780.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 151200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 312100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 982800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1795700.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 170200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 362100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1014000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 2221800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 3737.13 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3737.13 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8047.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3737.13 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3737127.6 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8049152.92 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3737.13 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3742.98 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 0.008071 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5.7 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3830.11 | nM | Homo sapiens |
| Cmax | 10361.81 | nM | Homo sapiens |
| Cmax | 23339.72 | nM | Homo sapiens |
| Cmax | 51381.57 | nM | Homo sapiens |
| Cmax | 4787.63 | nM | Homo sapiens |
| Cmax | 12482.05 | nM | Homo sapiens |
| Cmax | 25477.05 | nM | Homo sapiens |
| Cmax | 53176.94 | nM | Homo sapiens |
| Cmax | 2587.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine