Details of the Drug

General Information of Drug (ID: DMIE1WY)

• Drug Name: AG-881
• Synonyms: Vorasidenib; 1644545-52-7; UNII-789Q85GA8P; 789Q85GA8P; AG881; 9UO; 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine; Vorasidenib [INN]; Vorasidenib (AG-881); SCHEMBL16393139; AG 881 [WHO-DD]; QCZAWDGAVJMPTA-RNFRBKRXSA-N; BDBM279948; EX-A2574; US10028961, Compound 101; AG 881; s8611; CS-8033; HY-104042; 6-(6-chloropyridin-2-yl)-N2,N4-bis((R)-1,1,1-trifluoro propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-(6-chloropyridin-2-yl)-N2,N4-bis((R)-1,1,1-trifluoroprop

Indication

Disease Entry	ICD 11	Status	REF
Glioma	2A00.0	Phase 3	[1]
Acute myeloid leukaemia	2A60	Phase 1	[2]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 414.74
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C14H13ClF6N6
  IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
  Canonical SMILES: C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F
  InChI: InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
  InChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-N
• Cross-matching ID:
  PubChem CID: 117817422
  ChEBI ID: CHEMBL4279047
  CAS Number: 1644545-52-7
  UNII: 789Q85GA8P
  DrugBank ID: DB17097
  TTD ID: D0K9PC
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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
Isocitrate dehydrogenase (IDH)	TTDTWV0	IDHC_HUMAN ; IDHP_HUMAN ; IDH3A_HUMAN ; IDH3B_HUMAN ; IDH3G_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Glioma
• ICD Disease Classification: 2A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Isocitrate dehydrogenase (IDH)	DTT	IDH1; IDH2; IDH3A; IDH3B; IDH3G	6.06E-02	0.11	0.24

References

• [1] ClinicalTrials.gov (NCT04164901) Study of Vorasidenib (AG-881) in Participants With Residual or Recurrent Grade 2 Glioma With an IDH1 or IDH2 Mutation (INDIGO). U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)