Compound Detail
CHEMBL525076
ENFUVIRTIDE 💊 Approved Drug
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💊 Approved Drug
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL525076 |
| Name | ENFUVIRTIDE |
| Phase | Approved |
| Structure Type | BOTH |
| InChI Key | PEASPLKKXBYDKL-FXEVSJAOSA-N |
| Therapeutic | ✓ Yes |
4
Targets
107
Activities
3
Assay Types
13
PK Parameters
20
Publications
9
Known Names
4
Indications
1
Mechanisms
Molecular Properties
4491.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| First Approval | 2003 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Transmembrane glycoprotein gp41 inhibitor | INHIBITOR | Transmembrane glycoprotein gp41 | ✓ | ✓ |
Indications
HIV Infections HIV Infections Virus Diseases Acquired Immunodeficiency Syndrome
ATC Classification
J05AX07
enfuvirtide
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Activity Summary
IC50 56 meas. best 8.8
EC50 50 meas. best 9.0
Kd 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.0 | 7.6083 | 1.0 | 46 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.8 | 6.7347 | 1.6 | 55 |
| GP41 CHEMBL3559676 | EC50 | 8.0 | 7.3733 | 10.1 | 3 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| GP41 CHEMBL3559676 | Kd | 6.74 | 6.74 | 182.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 26900.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.6667 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 5676834.51 | nM | Rattus norvegicus |
| Ka | - | - | Homo sapiens |
| MRT | 2.1 | hr | Rattus norvegicus |
| T1/2 | 8.8 | hr | Macaca fascicularis |
| T1/2 | 2.8 | hr | Rattus norvegicus |
| T1/2 | 2.18 | hr | Rattus norvegicus |
| T1/2 | 0.516 | hr | Rattus norvegicus |
| T1/2 | 0.598 | hr | Rattus norvegicus |
| T1/2 | 0.905 | hr | - |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| Vd | 0.44 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26256053 | 10.1021/acs.jmedchem.5b00109 | Human immunodeficiency virus 1 | 28 |
| 17954689 | 10.1128/aac.00737-07 | Human immunodeficiency virus 1 | 22 |
| 19114674 | 10.1128/aac.01211-08 | Human immunodeficiency virus 1 | 16 |
| 24856833 | 10.1021/jm500344y | Human immunodeficiency virus 1 | 14 |
| 25156906 | 10.1021/jm500763m | Human immunodeficiency virus 1 | 13 |
| 23673219 | 10.1016/j.bmc.2013.04.046 | Human immunodeficiency virus 1 | 11 |
| 19805567 | 10.1128/aac.00827-09 | Human immunodeficiency virus 1 | 10 |
| 19949052 | 10.1128/aac.00891-09 | Human immunodeficiency virus 1 | 9 |
| 19124665 | 10.1128/aac.01067-08 | Human immunodeficiency virus 1 | 8 |
| 17485501 | 10.1128/aac.01602-06 | Human immunodeficiency virus 1 | 8 |
| 37706450 | 10.1021/acs.jmedchem.3c01412 | Human immunodeficiency virus 1 | 7 |
| 36944281 | 10.1016/j.ejmech.2023.115294 | Human immunodeficiency virus 1 | 6 |
| 24856833 | 10.1021/jm500344y | ADMET | 6 |
| 20547806 | 10.1128/aac.00100-10 | Human immunodeficiency virus 1 | 5 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | Human immunodeficiency virus 1 | 5 |
| 34261320 | 10.1021/acs.jmedchem.1c00781 | Human immunodeficiency virus 1 | 5 |
| 25156906 | 10.1021/jm500763m | Rattus norvegicus | 5 |
| 17640899 | 10.1073/pnas.0701478104 | Human immunodeficiency virus 1 | 5 |
| 23002902 | 10.1021/np300255r | Human immunodeficiency virus 1 | 4 |
| 25156906 | 10.1021/jm500763m | GP41 | 4 |
Data from ChEMBL 36 via Core Engine