Details of the Drug

General Information of Drug (ID: DMIU0VP)

Drug Name
SNX-5422
Synonyms
908115-27-5; PF-04929113; SNX-5422; SNX 5422; SNX5422; UNII-BF52J69Q8T; PF 04929113; PF-04929113 (SNX-5422); BF52J69Q8T; PF04929113; PF-4929113; cc-40; MLS006011083; SCHEMBL1220791; SCHEMBL1220790; CHEMBL1195136; SCHEMBL15604989; DTXSID50238270; C25H30F3N5O4; MolPort-023-293-502; BCPP000065; HMS3656B09; EX-A2343; BCP02427; s2656; ZINC95616595; ABP000737; ZINC100071931; ZINC252517142; AKOS027276395; SB16643; DB06070; API0008143; RL05706; SNX-5422 /; CS-0272; NCGC00346640-01; NCGC00386184-02; Glycine, trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrah
Indication
Disease Entry ICD 11 Status REF
Haematological malignancy 2B33.Y Phase 1/2 [1]
Non-small-cell lung cancer 2C25.Y Phase 1/2 [1]
Chronic lymphocytic leukaemia 2A82.0 Phase 1 [1]
Neuroendocrine cancer 2B72.1 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 521.5
Topological Polar Surface Area (xlogp) 3.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C25H30F3N5O4
IUPAC Name
[4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate
Canonical SMILES
CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C
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)
InChIKey
AVDSOVJPJZVBTC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44195571
CAS Number
908115-27-5
DrugBank ID
DB06070
TTD ID
D07MPL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heat shock protein 90 alpha (HSP90A) TT78R5H HS90A_HUMAN Inhibitor [2], [3]
Heat shock protein 90 beta (HSP90B) TTH5YN2 HS90B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Haematological malignancy
ICD Disease Classification 2B33.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Heat shock protein 90 alpha (HSP90A) DTT HSP90AA1 3.96E-01 0.18 0.48
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 SNX-2112, a selective Hsp90 inhibitor, potently inhibits tumor cell growth, angiogenesis, and osteoclastogenesis in multiple myeloma and other hema... Blood. 2009 Jan 22;113(4):846-55.
3 Targeting Hsp90: small-molecule inhibitors and their clinical development. Curr Opin Pharmacol. 2008 Aug;8(4):370-4.
4 Hsp90 is a direct target of the anti-allergic drugs disodium cromoglycate and amlexanox. Biochem J. 2003 Sep 1;374(Pt 2):433-41.
5 Recent advances in Hsp90 inhibitors as antitumor agents. Anticancer Agents Med Chem. 2008 Oct;8(7):761-82.
6 BIIB021, an orally available, fully synthetic small-molecule inhibitor of the heat shock protein Hsp90. Mol Cancer Ther. 2009 Apr;8(4):921-9.
7 Anti-tumor activity against multiple myeloma by combination of KW-2478, an Hsp90 inhibitor, with bortezomib. Blood Cancer J. 2012 Apr;2(4):e68.
8 Tanespimycin: the opportunities and challenges of targeting heat shock protein 90. Expert Opin Investig Drugs. 2009 Jun;18(6):861-8.
9 Efungumab: a novel agent in the treatment of invasive candidiasis. Ann Pharmacother. 2009 Nov;43(11):1818-23.
10 Clinical pipeline report, company report or official report of Debiopharm (2011).