Details of the Drug

General Information of Drug (ID: DMC4RNA)

• Drug Name: TAK-733
• Synonyms: TAK-733; 1035555-63-5; TAK733; TAK 733; UNII-5J61HSP0QJ; (R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione; 5J61HSP0QJ; CHEMBL1615025; 3-[(2r)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)amino]-8-Methylpyrido[2,3-D]pyrimidine-4,7(3h,8h)-Dione; MLS006011054; SCHEMBL1528606; GTPL9911; DTXSID20648089; MolPort-023-293-497; RCLQNICOARASSR-SECBINFHSA-N; example 18 [US8470837]; AOB87182; EX-A2164; BCP06625

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 504.23
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C17H15F2IN4O4
  IUPAC Name: 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
  Canonical SMILES: CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O
  InChI: InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
  InChIKey: RCLQNICOARASSR-SECBINFHSA-N
• Cross-matching ID:
  PubChem CID: 24963252
  CAS Number: 1035555-63-5
  UNII: 5J61HSP0QJ
  DrugBank ID: DB12241
  TTD ID: D0I3RD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MAPK/ERK kinase kinase (MAP3K)	TTROQ37	NOUNIPROTAC	Modulator	[2]

References

• [1] ClinicalTrials.gov (NCT00948467) Study of TAK-733 in Adult Patients With Advanced Nonhematologic Malignancies. U.S. National Institutes of Health.
• [2] MEK and the inhibitors: from bench to bedside. J Hematol Oncol. 2013; 6: 27.