Identification
- Generic Name
- Gosogliptin
- DrugBank Accession Number
- DB08382
- Background
Gosogliptin has been used in trials studying the treatment of Renal Insufficiency, Chronic.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Gosogliptin (DB08382)
- Weight
- Average: 366.4089
Monoisotopic: 366.19796583 - Chemical Formula
- C17H24F2N6O
- Synonyms
- 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
- Gosogliptin
- External IDs
- PF-00734200
- PF-734,200
- PF-734200
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ADipeptidyl peptidase 4 Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcarbose The risk or severity of hypoglycemia can be increased when Acarbose is combined with Gosogliptin. Acebutolol The therapeutic efficacy of Gosogliptin can be increased when used in combination with Acebutolol. Acetazolamide The therapeutic efficacy of Gosogliptin can be increased when used in combination with Acetazolamide. Acetohexamide Gosogliptin may increase the hypoglycemic activities of Acetohexamide. Acetyl sulfisoxazole The therapeutic efficacy of Gosogliptin can be increased when used in combination with Acetyl sulfisoxazole. Acetylsalicylic acid The risk or severity of hypoglycemia can be increased when Acetylsalicylic acid is combined with Gosogliptin. Albiglutide The risk or severity of hypoglycemia can be increased when Gosogliptin is combined with Albiglutide. Alclometasone The risk or severity of hyperglycemia can be increased when Alclometasone is combined with Gosogliptin. Alogliptin The risk or severity of angioedema can be increased when Alogliptin is combined with Gosogliptin. Alteplase The risk or severity of angioedema can be increased when Alteplase is combined with Gosogliptin. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid amides
- Alternative Parents
- N-arylpiperazines / Pyrrolidinecarboxamides / Dialkylarylamines / N-acylpyrrolidines / Aminopyrimidines and derivatives / N-alkylpiperazines / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds show 7 more
- Substituents
- 1,4-diazinane / Alkyl fluoride / Alkyl halide / Alpha-amino acid amide / Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group show 25 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GI718UO477
- CAS number
- 869490-23-3
- InChI Key
- QWEWGXUTRTXFRF-KBPBESRZSA-N
- InChI
- InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
- IUPAC Name
- 2-{4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazin-1-yl}pyrimidine
- SMILES
- [H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCC(F)(F)C1)N1CCN(CC1)C1=NC=CC=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11516136
- PubChem Substance
- 99444853
- ChemSpider
- 9690926
- BindingDB
- 50249479
- ChEMBL
- CHEMBL515387
- ZINC
- ZINC000023247686
- PDBe Ligand
- PF2
- Wikipedia
- Gosogliptin
- PDB Entries
- 3f8s
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Type 2 Diabetes Mellitus 1 2 Completed Treatment Type 2 Diabetes Mellitus 2 1 Completed Treatment Renal Insufficiency,Chronic 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.33 mg/mL ALOGPS logP 0.17 ALOGPS logP 0.4 Chemaxon logS -2.4 ALOGPS pKa (Strongest Basic) 9.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.6 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 93.03 m3·mol-1 Chemaxon Polarizability 36.63 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.8873 Caco-2 permeable - 0.6669 P-glycoprotein substrate Substrate 0.648 P-glycoprotein inhibitor I Inhibitor 0.6514 P-glycoprotein inhibitor II Non-inhibitor 0.6933 Renal organic cation transporter Inhibitor 0.5225 CYP450 2C9 substrate Non-substrate 0.8559 CYP450 2D6 substrate Non-substrate 0.6078 CYP450 3A4 substrate Substrate 0.5847 CYP450 1A2 substrate Inhibitor 0.6332 CYP450 2C9 inhibitor Inhibitor 0.5428 CYP450 2D6 inhibitor Non-inhibitor 0.7807 CYP450 2C19 inhibitor Non-inhibitor 0.5508 CYP450 3A4 inhibitor Non-inhibitor 0.6445 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.5971 Ames test Non AMES toxic 0.6791 Carcinogenicity Non-carcinogens 0.9048 Biodegradation Not ready biodegradable 0.9961 Rat acute toxicity 2.6944 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8928 hERG inhibition (predictor II) Inhibitor 0.9126
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- General Function
- Virus receptor activity
- Specific Function
- Cell surface glycoprotein receptor involved in the costimulatory signal essential for T-cell receptor (TCR)-mediated T-cell activation. Acts as a positive regulator of T-cell coactivation, by bindi...
- Gene Name
- DPP4
- Uniprot ID
- P27487
- Uniprot Name
- Dipeptidyl peptidase 4
- Molecular Weight
- 88277.935 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Dai H, Johnson SL, Terra SG, Marbury TC, Smith WB, Alcorn H, Boyd RA, Wang R, Nguyen TT: The pharmacokinetics of PF-734200, a DPP-IV inhibitor, in subjects with renal insufficiency. Br J Clin Pharmacol. 2011 Jul;72(1):85-91. doi: 10.1111/j.1365-2125.2011.03954.x. [Article]
Drug created at September 15, 2010 21:31 / Updated at February 21, 2021 18:52