Details of the Drug

General Information of Drug (ID: DM38JZU)

• Drug Name: EMD-1204831

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 473.5
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H27N7O3
  IUPAC Name: 6-(1-methylpyrazol-4-yl)-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
  Canonical SMILES: CN1C=C(C=N1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)C4=NC=C(C=N4)OCCN5CCOCC5
  InChI: InChI=1S/C25H27N7O3/c1-30-18-21(14-28-30)23-5-6-24(33)32(29-23)17-19-3-2-4-20(13-19)25-26-15-22(16-27-25)35-12-9-31-7-10-34-11-8-31/h2-6,13-16,18H,7-12,17H2,1H3
  InChIKey: CIUKPBWULKEZMF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25134692
  CAS Number: 1100598-15-9
  TTD ID: D0Y8UV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Met (MET)	TTNDSF4	MET_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
Proto-oncogene c-Met (MET)	DTT	MET	1.08E-03	-0.24	-0.4

References

• [1] ClinicalTrials.gov (NCT01110083) First-in-Man, Dose-escalation Trial of c-Met Kinase Inhibitor EMD 1204831 in Subjects With Advanced Solid Tumors. U.S. National Institutes of Health.
• [2] 2012 ASCO Annual Meeting.