This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Telotristat
- DrugBank Accession Number
- DB14218
- Background
A tryptophan hydroxylase inhibitor. Telotristat ethyl (brand name Xermelo) is a prodrug of telotristat.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Telotristat (DB14218)
- Weight
- Average: 546.94
Monoisotopic: 546.1394008 - Chemical Formula
- C25H22ClF3N6O3
- Synonyms
- Telotristat
- External IDs
- LP 778902
- LP-778902
Pharmacology
- Indication
Not Available
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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
- Not Available
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareOmeprazole The serum concentration of Telotristat can be increased when it is combined with Omeprazole. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Active Moieties
Name Kind UNII CAS InChI Key Telotristat ethyl prodrug 8G388563M7 1033805-22-9 MDSQOJYHHZBZKA-GBXCKJPGSA-N
Categories
- ATC Codes
- A16AX15 — Telotristat
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Phenylalanine and derivatives
- Alternative Parents
- Phenylpyrimidines / Phenylpyrazoles / Phenylpropanoic acids / Amphetamines and derivatives / L-alpha-amino acids / Alkyl aryl ethers / Aminopyrimidines and derivatives / Aralkylamines / Chlorobenzenes / Aryl chlorides show 12 more
- Substituents
- 3-phenylpropanoic-acid / 4-phenylpyrimidine / Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Alpha-amino acid / Amine / Amino acid / Aminopyrimidine / Amphetamine or derivatives show 32 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 381V4FCV2Z
- CAS number
- 1033805-28-5
- InChI Key
- NCLGDOBQAWBXRA-PGRDOPGGSA-N
- InChI
- InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
- IUPAC Name
- (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoic acid
- SMILES
- CC1=NN(C=C1)C1=CC(Cl)=CC=C1[C@@H](OC1=NC(N)=NC(=C1)C1=CC=C(C[C@H](N)C(O)=O)C=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 28189675
- BindingDB
- 50145648
- 1872382
- ChEBI
- 177736
- ChEMBL
- CHEMBL2103855
- ZINC
- ZINC000084758235
- Wikipedia
- Telotristat_ethyl
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Neuroendocrine Tumors 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00348 mg/mL ALOGPS logP 2.24 ALOGPS logP 2.76 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 1.69 Chemaxon pKa (Strongest Basic) 9.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 142.17 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 135.46 m3·mol-1 Chemaxon Polarizability 51.02 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 206.97491 predictedDeepCCS 1.0 (2019) [M+H]+ 208.85158 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.592 predictedDeepCCS 1.0 (2019)
Drug created at July 04, 2018 21:06 / Updated at December 01, 2022 11:28