Roblitinib
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Roblitinib
- DrugBank Accession Number
- DB16845
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 506.567
Monoisotopic: 506.239001478 - Chemical Formula
- C25H30N8O4
- Synonyms
- Roblitinib
- External IDs
- FGF-401
- FGF401
Pharmacology
- Indication
Not Available
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- 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
- M64JF6WMSA
- CAS number
- 1708971-55-4
- InChI Key
- BHKDKKZMPODMIQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)
- IUPAC Name
- N-{5-cyano-4-[(2-methoxyethyl)amino]pyridin-2-yl}-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-1,2,3,4-tetrahydro-1,8-naphthyridine-1-carboxamide
- SMILES
- COCCNC1=CC(NC(=O)N2CCCC3=CC(CN4CCN(C)CC4=O)=C(C=O)N=C23)=NC=C1C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 58828668
- BindingDB
- 209325
- ChEMBL
- CHEMBL3908979
- ZINC
- ZINC000644165879
- PDBe Ligand
- FGF
- PDB Entries
- 6jpj / 6yi8
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Completed Treatment Hepatocellular Carcinoma / Solid Tumor Malignancies 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 0.258 mg/mL ALOGPS logP 0.62 ALOGPS logP 0.78 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 10.93 Chemaxon pKa (Strongest Basic) 6.03 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 143.79 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 140.82 m3·mol-1 Chemaxon Polarizability 54.63 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)
Not Available
Drug created at July 25, 2022 15:27 / Updated at December 01, 2022 11:31