Details of the Drug

General Information of Drug (ID: DMTOI7S)

Drug Name
ARRY-520
Synonyms
Filanesib; ARRY-520; 885060-09-3; UNII-8A49OSO368; Arry520; CHEMBL2347655; ARRY 520 trifluoroacetate; 8A49OSO368; ARRY 520; (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide; Filanesib [INN]; Filanesib [USAN:INN]; C20H22F2N4O2S; ARRY-520; Filanesib; 1385020-40-5; Filanesib(ARRY-520); SCHEMBL368043; DTXSID50237086; EX-A678; BCP07442; ZINC43204022; 3452AH; BDBM50431893; AKOS030526964; SB19209; RL05514; CS-0867; NCGC00381751-02; NCGC00381751-04
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 420.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H22F2N4O2S
IUPAC Name
(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
Canonical SMILES
CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
InChI
InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
InChIKey
LLXISKGBWFTGEI-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
44224257
CAS Number
885060-09-3
TTD ID
D04VWJ
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
Kinesin-like protein KIF11 (KIF11) TTTRP0H KIF11_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Multiple myeloma
ICD Disease Classification 2A83
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Kinesin-like protein KIF11 (KIF11) DTT KIF11 5.72E-26 -1.17 -1.31
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 ClinicalTrials.gov (NCT01989325) A Study of Filanesib (ARRY-520) and Carfilzomib in Patients With Advanced Multiple Myeloma. U.S. National Institutes of Health.
3 Inhibition of KSP by ARRY-520 induces cell cycle block and cell death via the mitochondrial pathway in AML cells. Leukemia. 2009 Oct;23(10):1755-62.