This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- JTT-251
- DrugBank Accession Number
- DB18174
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for JTT-251 (DB18174)
- Weight
- Average: 503.522
Monoisotopic: 503.203190883 - Chemical Formula
- C26H28F3N3O4
- Synonyms
- Not Available
- External IDs
- JTT 251
- JTT-251
- JTT251
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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VZ3FG834W3
- CAS number
- 1627957-25-8
- InChI Key
- KNPYQCPWTWANOG-RUZDIDTESA-N
- InChI
- InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1
- IUPAC Name
- 2-{4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide
- SMILES
- CC(C)(O)CCOC1=CC2=C(C3=CC=CC=C3[C@]2(O)C(F)(F)F)C(=C1)C1=CN(N=C1)C(C)(C)C(N)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 58937871
- BindingDB
- 160542
- ChEMBL
- CHEMBL3673096
- ZINC
- ZINC000221390767
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Withdrawn Treatment Pulmonary Arterial Hypertension (PAH) 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 logP 3.06 Chemaxon pKa (Strongest Acidic) 10.06 Chemaxon pKa (Strongest Basic) 2.18 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.6 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 139.61 m3·mol-1 Chemaxon Polarizability 50.52 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2023 17:31 / Updated at September 15, 2023 10:38