Details of the Drug

General Information of Drug (ID: DMM52FD)

• Drug Name: AEZS-126
• Synonyms: AEZS-129; AEZS-132; D-106669; D-87503; Dual PI3K/ERK kinase inhibitors, AEterna Zentaris

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 414.5
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C19H22N6O3S
  IUPAC Name: 1-ethyl-3-[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]thiourea
  Canonical SMILES: CCNC(=S)NC1=NC2=NC(=CN=C2C=C1)NC3=CC(=C(C(=C3)OC)OC)OC
  InChI: InChI=1S/C19H22N6O3S/c1-5-20-19(29)25-15-7-6-12-18(23-15)24-16(10-21-12)22-11-8-13(26-2)17(28-4)14(9-11)27-3/h6-10H,5H2,1-4H3,(H3,20,22,23,24,25,29)
  InChIKey: YJGOOHUUMIONLF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25151705
  TTD ID: D03FIE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PI3-kinase gamma (PIK3CG)	TTHBTOP	PK3CG_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
PI3-kinase gamma (PIK3CG)	DTT	PIK3CG	1.98E-01	-0.05	-0.55

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2155).