Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- (2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine
- DrugBank Accession Number
- DB08024
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for (2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine (DB08024)
- Weight
- Average: 319.408
Monoisotopic: 319.168462308 - Chemical Formula
- C20H21N3O
- Synonyms
- 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UDipeptidyl 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. View sample adverse effects data in our new Data Library!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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- JFHXVIXBGWKRGK-OALUTQOASA-N
- InChI
- InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1
- IUPAC Name
- SMILES
- N[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N1CCC[C@H]1C#N
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5459374
- PubChem Substance
- 99444495
- ChemSpider
- 21865417
- BindingDB
- 11118
- ChEBI
- 43666
- ChEMBL
- CHEMBL200347
- ZINC
- ZINC000014947610
- PDBe Ligand
- JNH
- PDB Entries
- 2ajl
Clinical Trials
- Clinical Trials
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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 - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9968 Blood Brain Barrier + 0.8867 Caco-2 permeable + 0.5 P-glycoprotein substrate Substrate 0.6544 P-glycoprotein inhibitor I Non-inhibitor 0.6181 P-glycoprotein inhibitor II Non-inhibitor 0.5201 Renal organic cation transporter Non-inhibitor 0.5112 CYP450 2C9 substrate Non-substrate 0.8531 CYP450 2D6 substrate Non-substrate 0.5862 CYP450 3A4 substrate Non-substrate 0.6183 CYP450 1A2 substrate Non-inhibitor 0.6195 CYP450 2C9 inhibitor Non-inhibitor 0.7698 CYP450 2D6 inhibitor Inhibitor 0.5706 CYP450 2C19 inhibitor Inhibitor 0.7023 CYP450 3A4 inhibitor Inhibitor 0.7302 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.7963 Ames test Non AMES toxic 0.8685 Carcinogenicity Non-carcinogens 0.8598 Biodegradation Not ready biodegradable 0.9848 Rat acute toxicity 2.3845 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9447 hERG inhibition (predictor II) Inhibitor 0.7951
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- 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]
Drug created at September 15, 2010 21:27 / Updated at July 17, 2024 10:37