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
Logarithm of the Partition Coefficient (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
UNII
BF52J69Q8T
DrugBank ID
DB06070
TTD ID
D07MPL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
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.