Details of the Drug

General Information of Drug (ID: DMNWPMO)

• Drug Name: IDH305
• Synonyms: DCGDPJCUIKLTDU-SUNYJGFJSA-N; IDH-305; 1628805-46-8; UNII-A791KH7YZW; A791KH7YZW; CHEMBL3947537; SCHEMBL16045032; BDBM247859; CS-8084; HY-104036; US9434719, 466; (R)-4-((S)-1-fluoroethyl)-3-(2-(((S)-1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)amino)pyrimidin-4-yl)oxazolidin-2-one; (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one; C81

Indication

Disease Entry	ICD 11	Status	REF
Advanced malignancy	2A00-2F9Z	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 490.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C23H22F4N6O2
  IUPAC Name: (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
  Canonical SMILES: CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)[C@H](C)F
  InChI: InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1
  InChIKey: DCGDPJCUIKLTDU-SUNYJGFJSA-N
• Cross-matching ID:
  PubChem CID: 90415637
  CAS Number: 1628805-46-8
  TTD ID: D0RZ9V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxalosuccinate decarboxylase (IDH1)	TTV2A1R	IDHC_HUMAN	Inhibitor	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)