Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZU9R
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| Former ID |
DAP000169
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| Drug Name |
Ritonavir
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| Synonyms |
Norvir; RIT; RTV; Norvir Sec; Ritonavir [USAN]; ABT 538; ABT 84538; ABT538; Abbott 84538; A-84538; ABBOTT-84538; ABT-538; DRG-0244; Norvir (TM); Norvir (TN); Ritonavir (JAN/USAN/INN); N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 538, ABT
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] | Approved | [1] | |
| Therapeutic Class |
Anti-HIV Agents
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| Company |
Abbott Laboratories
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| Structure |
 |
Download2D MOL |
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| Formula |
C37H48N6O5S2
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| Canonical SMILES |
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
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| InChI |
1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
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| InChIKey |
NCDNCNXCDXHOMX-XGKFQTDJSA-N
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| CAS Number |
CAS 155213-67-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9449, 523930, 583815, 612199, 822215, 827183, 855141, 7847493, 7890279, 7980525, 8030461, 10279496, 11528746, 12014859, 14766505, 14790837, 17422094, 26719904, 29215414, 46386817, 46392172, 46393138, 46505050, 49681649, 53789763, 57402349, 71825024, 79712259, 81092847, 92308258, 92711419, 93166545, 93167041, 99436927, 103244854, 104178993, 104616751, 104829353, 117877983, 118048821, 124658994, 124757062, 124801360, 124876828, 124892213, 124894323, 125163866, 125333191, 126592976, 126630875
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| ChEBI ID |
CHEBI:45409
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| ADReCS Drug ID | BADD_D01952 | |||
| SuperDrug ATC ID |
J05AE03
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| SuperDrug CAS ID |
cas=155213675
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
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Studied Microbe: Bacteroides dorei DSM 17855
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[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides dorei DSM 17855 (log2FC = -0.719; p = 0.006). | |||
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Studied Microbe: Bacteroides eggerthii DSM20697
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[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides eggerthii DSM20697 (log2FC = -0.627; p = 0.008). | |||
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Studied Microbe: Bacteroides fragilis NCTC 9343
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides fragilis NCTC 9343 (log2FC = -0.768; p = 0.012). | |||
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Studied Microbe: Bacteroides fragilis str. 3397 T10
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides fragilis str. 3397 T10 (log2FC = -0.414; p = 0.048). | |||
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Studied Microbe: Bacteroides fragilis str. DS-208
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides fragilis str. DS-208 (log2FC = -0.652; p = 0.007). | |||
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Studied Microbe: Bacteroides thetaiotaomicron 3731
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides thetaiotaomicron 3731 (log2FC = -0.348; p = 0.011). | |||
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Studied Microbe: Bacteroides thetaiotaomicron 7330
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides thetaiotaomicron 7330 (log2FC = -0.398; p = 0.018). | |||
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Studied Microbe: Bacteroides uniformis ATCC 8492
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[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides uniformis ATCC 8492 (log2FC = -0.641; p = 0.007). | |||
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Studied Microbe: Bacteroides vulgatus ATCC 8482
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides vulgatus ATCC 8482 (log2FC = -0.679; p = 0.031). | |||
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Studied Microbe: Bacteroides xylanisolvens DSM18836
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[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Bacteroides xylanisolvens DSM18836 (log2FC = -0.603; p = 0.003). | |||
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Studied Microbe: Odoribacter splanchnicus
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Odoribacter splanchnicus (log2FC = -0.592; p = 0.008). | |||
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Studied Microbe: Parabacteroides distasonis ATCC 8503
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[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Parabacteroides distasonis ATCC 8503 (log2FC = -0.387; p = 0.017). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Enterobacterales | ||||
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Studied Microbe: Escherichia coli BW25113
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Escherichia coli BW25113 (log2FC = -0.482; p = 0.031). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia hansenii DSM20583
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Blautia hansenii DSM20583 (log2FC = -0.636; p = 0.019). | |||
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Studied Microbe: Clostridium sp.
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|
[2] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ritonavir can be metabolized by Clostridium sp. (log2FC = -0.518; p = 0.011). | |||
| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Protease (HIV PR) | Target Info | Inhibitor | [3], [4] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 2 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 3 | Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV. Int J Antimicrob Agents. 2009 Apr;33(4):307-20. | |||
| REF 4 | Peptide mimetic HIV protease inhibitors are ligands for the orphan receptor SXR. J Biol Chem. 2001 Sep 7;276(36):33309-12. | |||
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