Compound Detail
CHEMBL1163
ATAZANAVIR 💊 Approved Drug
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💊 Approved Drug
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL1163 |
| Name | ATAZANAVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AXRYRYVKAWYZBR-GASGPIRDSA-N |
| Therapeutic | ✓ Yes |
23
Targets
248
Activities
4
Assay Types
30
PK Parameters
20
Publications
4
Known Names
7
Indications
Molecular Properties
704.9
MW (Da)
4.21
ALogP
9
HBA
5
HBD
171.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2003 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Virus Diseases Acquired Immunodeficiency Syndrome HIV Infections HIV Infections Severe Acute Respiratory Syndrome Diabetes Mellitus, Type 1 Hematologic Neoplasms
ATC Classification
J05AE08
atazanavir
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Activity Summary
EC50 132 meas. best 9.15
IC50 82 meas. best 10.4
Ki 33 meas. best 10.62
Kd 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | Ki | 10.62 | 9.5825 | 0.0 | 8 |
| Protease CHEMBL2366517 | IC50 | 10.4 | 9.2533 | 0.0 | 6 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 10.27 | 9.715 | 0.1 | 8 |
| Unchecked CHEMBL612545 | Ki | 9.48 | 8.1617 | 0.3 | 12 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | Kd | 9.4 | 9.4 | 0.4 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.15 | 7.5009 | 0.7 | 120 |
| Protease CHEMBL2366517 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.05 | 7.1953 | 0.9 | 30 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 8.52 | 7.8056 | 3.0 | 9 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 7.28 | 4.0 | 2 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| HIV-1 protease CHEMBL4296312 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.15 | 6.24 | 7.0 | 2 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.6 | 7.2633 | 25.0 | 3 |
| MT4 CHEMBL388 | IC50 | 7.6 | 7.2633 | 25.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 7.52 | 6.8856 | 30.0 | 18 |
| UDP-glucuronosyltransferase 1A1 CHEMBL1287617 | IC50 | 6.52 | 6.37 | 300.0 | 4 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.5 | 6.1 | 320.0 | 2 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 6.15 | 6.15 | 703.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| UDP-glucuronosyltransferase 1A1 CHEMBL4523339 | IC50 | 5.47 | 5.425 | 3400.0 | 2 |
| Solute carrier organic anion transporter family member 2B1 CHEMBL1743124 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
| Solute carrier organic anion transporter family member 2B1 CHEMBL1743124 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 7950.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.89 | 4.89 | 12740.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.48 | 4.48 | 33340.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.17 | 4.17 | 67800.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.16 | 4.16 | 69100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10573.05 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 23800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 5100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 9800.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 47600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 10300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 19600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 29303.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 61435.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 47410.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 35432.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 49644.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 36529.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 53500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 33100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 33500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 26412.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 30329.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 270.67 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3.524 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1733.98 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 169.17 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 270.67 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 270.67 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 14696.54 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 270.67 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 14696.54 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 448.3 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 26.67 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 90.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine