Details of the Drug

General Information of Drug (ID: DMXD93K)

• Drug Name: ARRY-614
• Synonyms: Pexmetinib; 945614-12-0; ARRY-614; Pexmetinib (ARRY-614); UNII-3750D0U8B5; 3750D0U8B5; Pexmetinib [INN]; Pexmetinib;ARRY-614; Pexmetinib(ARRY-614); ARRY614; SCHEMBL379035; GTPL9917; MolPort-039-193-822; LNMRSSIMGCDUTP-UHFFFAOYSA-N; BCP28410; EX-A1421; s7799; ZINC41747181; AKOS032945154; SB16914; Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-((5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)phenyl)methyl)-

Indication

Disease Entry	ICD 11	Status	REF
Arthritis	FA20	Discontinued in Phase 1	[1]
Myelodysplastic syndrome	2A37	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 556.6
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C31H33FN6O3
  IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea
  Canonical SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=C(C=CC(=C3)F)OC4=CC5=C(C=C4)N(N=C5)CCO
  InChI: InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)
  InChIKey: LNMRSSIMGCDUTP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24765037
  CAS Number: 945614-12-0
  TTD ID: D0ML0L
• 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
Angiopoietin 1 receptor (TEK)	TT9VGXW	TIE2_HUMAN	Modulator	[2]
Stress-activated protein kinase (p38)	TTWELHI	NOUNIPROTAC	Modulator	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026289)
• [2] Cmpany report (Arraybiopharma)