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]
Structure
3D MOL 2D MOL
#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
CAS Number
1644545-52-7
TTD ID
D0K9PC
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD 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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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)