SNX-5422
Identification
- Generic Name
- SNX-5422
- DrugBank Accession Number
- DB06070
- Background
SNX-5422 is a synthetic, novel, small molecule Hsp90 Inhibitor. As an oral formulation that demonstrates strong efficacy and tolerability, SNX-5422 is positioned as a breakthrough therapy with broad applicability across a wide range of cancers.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 521.541
Monoisotopic: 521.224988955 - Chemical Formula
- C25H30F3N5O4
- Synonyms
- Not Available
- External IDs
- PF 04929113
- PF-04929113
- PF-4929113
- SNX 5422
- SNX-5422
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified).
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- Pharmacodynamics
SNX-5422 is under development by Serenex. It is orally administered (pill form). Once in the body, SNX-5422 is converted to SNX-2122; that is, SNX-5422 is a prodrug of SNX-2112, which is the active form.
- Mechanism of action
SNX-5422 is a direct, potent inhibitor of Hsp90 across a broad range of human cancer cell lines and causes degradation of important Hsp90 client proteins including HER2, AKT and ERK.
Target Actions Organism UHeat shock protein HSP 90-alpha Not Available Humans UHeat shock protein HSP 90-beta 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid esters
- Alternative Parents
- Phenylpyrazoles / 2-aminobenzamides / Anthranilamides / Phenylalkylamines / Aniline and substituted anilines / Aryl alkyl ketones / Benzoyl derivatives / Secondary alkylarylamines / Cyclohexylamines / Vinylogous amides show 11 more
- Substituents
- 2-aminobenzamide / Alkyl fluoride / Alkyl halide / Alpha-amino acid ester / Amine / Aminobenzamide / Aminobenzoic acid or derivatives / Aniline or substituted anilines / Anthranilamide / Aromatic heteropolycyclic compound show 35 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BF52J69Q8T
- CAS number
- 908115-27-5
- InChI Key
- AVDSOVJPJZVBTC-CTYIDZIISA-N
- InChI
- InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)/t13-,15-
- IUPAC Name
- (1r,4r)-4-({2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl 2-aminoacetate
- SMILES
- CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44195571
- PubChem Substance
- 347827754
- ChemSpider
- 25060921
- ChEMBL
- CHEMBL1195136
Clinical Trials
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 Water Solubility 0.00924 mg/mL ALOGPS logP 3.15 ALOGPS logP 2.88 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 15.08 Chemaxon pKa (Strongest Basic) 7.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 142.33 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 131.81 m3·mol-1 Chemaxon Polarizability 51.66 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]- 215.41516 predictedDeepCCS 1.0 (2019) [M+H]+ 217.54286 predictedDeepCCS 1.0 (2019) [M+Na]+ 223.28752 predictedDeepCCS 1.0 (2019)
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Tpr domain binding
- Specific Function
- Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Under...
- Gene Name
- HSP90AA1
- Uniprot ID
- P07900
- Uniprot Name
- Heat shock protein HSP 90-alpha
- Molecular Weight
- 84659.015 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Utp binding
- Specific Function
- Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Under...
- Gene Name
- HSP90AB1
- Uniprot ID
- P08238
- Uniprot Name
- Heat shock protein HSP 90-beta
- Molecular Weight
- 83263.475 Da
Drug created at November 18, 2007 18:29 / Updated at January 14, 2023 19:04