Details of the Drug

General Information of Drug (ID: DMQBO3V)

• Drug Name: M4344
• Synonyms: VX-803; Butanehydrazide; Butyrohydrazide; Butyric acid hydrazide; 3538-65-6; butanehydrazide; Butanohydrazide; Butyrylhydrazine; Butanoic acid, hydrazide; n-Butyric acid hydrazide; butyric hydrazide; butanoic acid hydrazide; FCCCRBDJBTVFSJ-UHFFFAOYSA-N; butyryl hydrazine; Butanohydrazide #; EINECS 222-579-0; N-butanoyl-hydrazine; butryic acid hydrazide; ACMC-1AEKP; AC1L2SBF; AC1Q5PVE; SCHEMBL924945; Mr-I-33; ARONIS010643; SCHEMBL11029887; CTK3J2024; DTXSID70188869; MolPort-000-152-665; BDBM233138; NSC41957; NSC24021; KS-000041YT; ALBB-002745; ZINC1608800; NSC-240

Indication

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

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 541.6
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C25H29F2N9O3
  IUPAC Name: 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  Canonical SMILES: C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F
  InChI: InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
  InChIKey: QAYHKBLKSXWOEO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86720912
  TTD ID: D0IE9L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine/threonine-protein kinase ATR (FRP1)	TT8ZYBQ	ATR_HUMAN	Inhibitor	[1]

References

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