Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02EYG
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| Former ID |
DCL000553
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| Drug Name |
Linagliptin
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| Synonyms |
Ondero; BI 1356; BI-1356; Ondero (TN); BI-1356-BS; (R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
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| Drug Type |
Small molecular drug
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| Indication | Type-2 diabetes [ICD-11: 5A11; ICD-9: 250] | Approved | [1], [2] | |
| Company |
Boehringer Ingelheim
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| Structure |
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Download2D MOL |
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| Formula |
C25H28N8O2
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| Canonical SMILES |
CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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| InChI |
1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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| InChIKey |
LTXREWYXXSTFRX-QGZVFWFLSA-N
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| CAS Number |
CAS 668270-12-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
15083733, 22505980, 29196126, 39156222, 56310616, 80795936, 103537922, 104097872, 124490306, 124772145, 126626882, 126665800, 134345106, 135257632, 135693249, 136367897, 137171672, 141692239, 144116143, 152090598, 152134670, 152159563, 152258162, 160644541, 160645740, 160646999, 162011748, 162198501, 164020949, 164193945, 164228213, 164761585, 172653134, 174006340, 174530256, 175267212, 175427132, 178102936, 184817874, 198992878, 223377286, 223554902, 223678280, 223704799, 226523537, 241125887, 242588098, 249072929, 249737177, 251971307
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| ChEBI ID |
CHEBI:68610
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| ADReCS Drug ID | BADD_D01292 | |||
| SuperDrug ATC ID |
A10BH05
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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 caccae ATCC 43185
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides caccae ATCC 43185 (log2FC = -1.043; p = 0.018). | |||
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Studied Microbe: Bacteroides coprophilus DSM 18228
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides coprophilus DSM 18228 (log2FC = -3.544; p = 0.002). | |||
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Studied Microbe: Bacteroides dorei DSM 17855
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides dorei DSM 17855 (log2FC = -2.6; p = 0.029). | |||
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Studied Microbe: Bacteroides finegoldii DSM17565
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides finegoldii DSM17565 (log2FC = -0.968; p = 0.025). | |||
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Studied Microbe: Bacteroides fragilis NCTC 9343
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides fragilis NCTC 9343 (log2FC = -2.764; p = 0.036). | |||
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Studied Microbe: Bacteroides fragilis str. 3397 T10
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides fragilis str. 3397 T10 (log2FC = -2.569; p = 0.04). | |||
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Studied Microbe: Bacteroides intestinalis DSM 17393
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides intestinalis DSM 17393 (log2FC = -0.387; p = 0.05). | |||
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Studied Microbe: Bacteroides stercoris ATCC 43183
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides stercoris ATCC 43183 (log2FC = -1.787; p = 0.031). | |||
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Studied Microbe: Bacteroides thetaiotaomicron 3731
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides thetaiotaomicron 3731 (log2FC = -1.902; p = 0.01). | |||
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Studied Microbe: Bacteroides thetaiotaomicron VPI-5482
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides thetaiotaomicron VPI-5482 (log2FC = -2.018; p = 0.048). | |||
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Studied Microbe: Bacteroides uniformis ATCC 8492
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Bacteroides uniformis ATCC 8492 (log2FC = -2.722; p = 0.013). | |||
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Studied Microbe: Odoribacter splanchnicus
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Odoribacter splanchnicus (log2FC = -3.253; p = 0.007). | |||
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Studied Microbe: Parabacteroides distasonis ATCC 8503
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Parabacteroides distasonis ATCC 8503 (log2FC = -2.342; p = 0.006). | |||
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Studied Microbe: Parabacteroides johnsonii DSM 18315
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Parabacteroides johnsonii DSM 18315 (log2FC = -4.215; p = 0.007). | |||
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Studied Microbe: Pretovella copri DSM 18205
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Linagliptin can be metabolized by Pretovella copri DSM 18205 (log2FC = -1.623; p = 0.025). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dipeptidyl peptidase 4 (DPP-4) | Target Info | Inhibitor | [4], [5] |
| KEGG Pathway | Protein digestion and absorption | |||
| NetPath Pathway | IL2 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6318). | |||
| REF 2 | Clinical pipeline report, company report or official report of Boehringer Ingelheim. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Boehringer Ingelheim. Product Development Pipeline. June 2 2009. | |||
| REF 5 | Emerging drug candidates of dipeptidyl peptidase IV (DPP IV) inhibitor class for the treatment of Type 2 Diabetes. Curr Drug Targets. 2009 Jan;10(1):71-87. | |||
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