Details of the Drug

General Information of Drug (ID: DMB5NOI)

• Drug Name: MK-6592
• Synonyms: VX-667

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 530
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C25H26ClF2N7O2
  IUPAC Name: (5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxypyrrolidin-1-yl]methanone
  Canonical SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)O[C@H]3CCN(C3)C(=O)C4=C(C=CC(=C4)Cl)F)N5CC(C5)(C6CC6)F
  InChI: InChI=1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1
  InChIKey: SLUHYAXFRJQTGB-KRWDZBQOSA-N
• Cross-matching ID:
  PubChem CID: 16731225
  ChEBI ID: CHEMBL3545378
  TTD ID: D0M0KB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aurora kinase C (AURKC)	TTLYXIT	AURKC_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Aurora kinase C (AURKC)	DTT	AURKC	2.66E-02	-0.53	-0.8

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 800024789)
• [2] Clinical experience with aurora kinase inhibitors: a review. Oncologist. 2009 Aug;14(8):780-93.