Details of the Drug

General Information of Drug (ID: DME1ZAH)

• Drug Name: MK-1496

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 236.35
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H24N2O
  IUPAC Name: (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
  Canonical SMILES: C[C@@H](C1=CC=C(C=C1)[C@@H](CNC(C)(C)C)O)N
  InChI: InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1
  InChIKey: KUHBBYPXWKYKKR-GXFFZTMASA-N
• Cross-matching ID:
  PubChem CID: 67313626
  CAS Number: 1037254-47-9
  DrugBank ID: DB12763
  TTD ID: D05RGV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polo-like kinase 1 (PLK1)	TTIYVQP	PLK1_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
Polo-like kinase 1 (PLK1)	DTT	PLK1	4.16E-07	-0.38	-0.72

References

• [1] ClinicalTrials.gov (NCT00880568) Phase I Study of MK-1496 in Patients With Advanced Solid Tumor (MK-1496-002 AM 4)(COMPLETED). U.S. National Institutes of Health.
• [2] J Clin Oncol 29: 2011 (suppl; abstr 3012).