Compound Detail
CHEMBL5201510
FIPRAVIRIMAT 🧪 Phase II
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🧪 Phase II
C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5201510 |
| Name | FIPRAVIRIMAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YFSNREBZTKMFEB-DHGHKPCRSA-N |
3
Targets
37
Activities
3
Assay Types
30
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
727.1
MW (Da)
8.40
ALogP
5
HBA
2
HBD
86.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
HIV Infections
Activity Summary
EC50 35 meas. best 8.96
IC50 1 meas. best 5.41
Kd 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.96 | 8.3385 | 1.1 | 33 |
| Unchecked CHEMBL612545 | Kd | 8.85 | 8.85 | 1.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.83 | 7.765 | 1.5 | 2 |
| UDP-glucuronosyltransferase 1A1 CHEMBL1287617 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5074.29 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5357.13 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 21739.69 | ng.hr.mL-1 | Mus musculus |
| AUC | 5380.39 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3126.44 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 5525.81 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 5380.39 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 2.6 | mL.min-1.kg-1 | Mus musculus |
| CL | 6.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.38 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 1.8 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 6.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2700.0 | nM | Mus musculus |
| Cmax | 900.0 | nM | Rattus norvegicus |
| Cmax | 4300.0 | nM | Canis lupus familiaris |
| Cmax | 800.0 | nM | Macaca fascicularis |
| Cmax | 900.0 | nM | Rattus norvegicus |
| F | 91.0 | % | Mus musculus |
| F | 40.0 | % | Rattus norvegicus |
| F | 117.0 | % | Canis lupus familiaris |
| F | 28.0 | % | Macaca fascicularis |
| F | 40.0 | % | Rattus norvegicus |
| MRT | 4.9 | hr | Rattus norvegicus |
| T1/2 | 4.6 | hr | Mus musculus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 18.7 | hr | Canis lupus familiaris |
| T1/2 | 5.3 | hr | Macaca fascicularis |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine