Details of the Drug

General Information of Drug (ID: DMCN6PY)

• Drug Name: 2-cyano-3-(3,4-dihydroxyphenyl)acrylamide
• Synonyms: Tyrphostin 46; Tyrphostin A46; AG 99; Tyrphostin B40; 122520-85-8; alpha-Cyano-(3,4-dihydroxy)cinnamide; AG-99; 3,4-Dihydroxy-alpha-cyanocinnamamide; UNII-ARL2OF9022; CHEMBL296407; ARL2OF9022; 118409-59-9; Tyrphostin AG 99; (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide; NSC666250; NSC-666250; 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-; (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide; Tyrphostin AG99; 3,4-Dihydroxy-alpha-cyanocinnamide; NSC 666250; Tocris-0497; Tyrphostin deriv. 40; BiomolKI_000013; AC1NS5AR

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 204.18
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H8N2O3
  IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
  Canonical SMILES: C1=CC(=C(C=C1/C=C(\\C#N)/C(=O)N)O)O
  InChI: InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
  InChIKey: USOXQZNJFMKTKJ-XVNBXDOJSA-N
• Cross-matching ID:
  PubChem CID: 5328768
  CAS Number: 118409-59-9
  TTD ID: D01NTW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Epidermal growth factor receptor (EGFR)	DTT	EGFR	5.84E-05	0.32	0.55

References

• [1] Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents. J Nat Prod. 1992 Nov;55(11):1529-60.