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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Contraindications & Blackbox Warnings
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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.

TargetActionsOrganism
UHeat shock protein HSP 90-alphaNot AvailableHumans
UHeat shock protein HSP 90-betaNot AvailableHumans
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
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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
PubChem Compound
44195571
PubChem Substance
347827754
ChemSpider
25060921
ChEMBL
CHEMBL1195136

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentCancer1
1CompletedTreatmentCancer6
1CompletedTreatmentLymphoma / Neoplasm1
1CompletedTreatmentNeoplasms, Hematologic1
1TerminatedTreatmentCancer1

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
PropertyValueSource
Water Solubility0.00924 mg/mLALOGPS
logP3.15ALOGPS
logP2.88Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)15.08Chemaxon
pKa (Strongest Basic)7.09Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area142.33 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity131.81 m3·mol-1Chemaxon
Polarizability51.66 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-0000190000-2a5576dc4b9ca6902cea
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000600000-73392d51db828e231684
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xr-2000900000-70598e4c067bb32ba4e8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4s-0000960000-9cf4578ab23a25fe8f17
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0009750000-07e3b372b5e9ad92f1f0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-4002910000-aaf3c1a98fdac1045746
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-215.41516
predicted
DeepCCS 1.0 (2019)
[M+H]+217.54286
predicted
DeepCCS 1.0 (2019)
[M+Na]+223.28752
predicted
DeepCCS 1.0 (2019)

Targets

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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