Details of the Drug

General Information of Drug (ID: DMRFYOS)

• Drug Name: RG-13022
• Synonyms: RG-13022; RG 13022; CHEMBL67027; NSC666257; (Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile; 136831-48-6; DBGZNJVTHYFQJI-RIYZIHGNSA-N; 149286-90-8; Tyrphostin RG13022; AC1NV4OE; SCHEMBL241869; SCHEMBL1959494; CHEBI:93448; MolPort-009-019-306; BDBM50039091; ZINC37858694; HSCI1_000158; AKOS032947325; NSC-666257; NCGC00018297-02; NCGC00018297-01; J-006919; BRD-K82688027-001-01-5; 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)acrylonitrile; (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 266.29
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H14N2O2
  IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
  Canonical SMILES: COC1=C(C=C(C=C1)/C=C(\\C#N)/C2=CN=CC=C2)OC
  InChI: InChI=1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8+
  InChIKey: DBGZNJVTHYFQJI-RIYZIHGNSA-N
• Cross-matching ID:
  PubChem CID: 5468216
  ChEBI ID: CHEBI:93448
  CAS Number: 136831-48-6
  TTD ID: D03WTT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_HUMAN	Inhibitor	[1]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-derived growth factor receptor alpha (PDGFRA)	DTT	PDGFRA	4.48E-02	1.37	3.31
Platelet-derived growth factor receptor alpha (PDGFRA)	DTT	PDGFRA	9.98E-03	2.15	1.46

References

• [1] A new series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J Med Chem. 1994 Jul 8;37(14):2129-37.