Denifanstat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Denifanstat
- DrugBank Accession Number
- DB17576
- Background
Denifanstat is an orally bioavailable fatty acid synthase (FASN) inhibitor. Due to its antineoplastic activities, it is being investigated for various cancers.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 439.563
Monoisotopic: 439.237210574 - Chemical Formula
- C27H29N5O
- Synonyms
- Benzonitrile, 4-(1-(4-cyclobutyl-2-methyl-5-(3-methyl-1h-1,2,4-triazol-5-yl)benzoyl)-4-piperidinyl)-
- External IDs
- ASC-40
- TVB 2640
- TVB-2640
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
- 4GF95B2LZA
- CAS number
- 1399177-37-7
- InChI Key
- BBGOSBDSLYHMRA-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
- IUPAC Name
- 4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile
- SMILES
- CC1=NC(=NN1)C1=CC(C(=O)N2CCC(CC2)C2=CC=C(C=C2)C#N)=C(C)C=C1C1CCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58955989
- BindingDB
- 137084
- ChEMBL
- CHEMBL3661754
- ZINC
- ZINC000150188638
- PDBe Ligand
- X5O
- PDB Entries
- 8eyk / 8gkc
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Acne 1 3 Recruiting Treatment Acne 1 3 Recruiting Treatment Recurrent Glioblastoma 1 2 Active Not Recruiting Treatment Advanced Breast Carcinoma / Anatomic Stage III Breast Cancer AJCC v8 / Anatomic Stage IV Breast Cancer AJCC v8 / HER2-Positive Breast Carcinoma / HER2/Neu-positive Breast Cancer 1 2 Completed Treatment Acne Vulgaris 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 5.24 Chemaxon pKa (Strongest Acidic) 11.78 Chemaxon pKa (Strongest Basic) 2.16 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 85.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 142.18 m3·mol-1 Chemaxon Polarizability 50.89 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at March 02, 2023 22:20 / Updated at March 03, 2023 17:28