Details of the Drug

General Information of Drug (ID: DM0KJDY)

• Drug Name: LY2801653
• Synonyms: Merestinib; LY2801653; 1206799-15-6; LY-2801653; UNII-5OGS5K699E; N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide; 5OGS5K699E; N-(3-Fluoro-4-{[1-Methyl-6-(1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]oxy}phenyl)-1-(4-Fluorophenyl)-6-Methyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide; C30H22F2N6O3; Merestinib [USAN]; SCHEMBL679002; LY2801653 (Merestinib); GTPL9841; CHEMBL3545307; QCR-139; DTXSID20659635; SYN1222; QHADVLVFMKEIIP-UHFFFAOYSA-N

Indication

Disease Entry	ICD 11	Status	REF
Biliary tract cancer	2C17	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 552.5
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C30H22F2N6O3
  IUPAC Name: N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
  Canonical SMILES: CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F
  InChI: InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
  InChIKey: QHADVLVFMKEIIP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44603533
  CAS Number: 1206799-15-6
  DrugBank ID: DB12381
  TTD ID: D06EGV
• 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
Protein kinase (PK)	TTU8W4S	NOUNIPROTAC	Inhibitor	[1]
Proto-oncogene c-Met (MET)	TTNDSF4	MET_HUMAN	Modulator	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Biliary tract cancer
• ICD Disease Classification: 2C17

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] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] ClinicalTrials.gov (NCT01285037) A Study of LY2801653 in Advanced Cancer. U.S. National Institutes of Health.
• [3] Clinical pipeline report, company report or official report of Eli Lilly.