Details of the Drug

General Information of Drug (ID: DMVPIF8)

• Drug Name: NP-506
• Synonyms: CHEMBL480356; NP-506; SCHEMBL20130652; BDBM50256010; 3-{2,4-dimethyl-5-[2-oxo-5-(N''-phenylhydrazinocarbonyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrol-3-yl}-propionic acid

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); 444.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C25H24N4O4
  IUPAC Name: 3-[5-[(Z)-[5-(anilinocarbamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
  Canonical SMILES: CC1=C(NC(=C1CCC(=O)O)C)/C=C\\2/C3=C(C=CC(=C3)C(=O)NNC4=CC=CC=C4)NC2=O
  InChI: InChI=1S/C25H24N4O4/c1-14-18(9-11-23(30)31)15(2)26-22(14)13-20-19-12-16(8-10-21(19)27-25(20)33)24(32)29-28-17-6-4-3-5-7-17/h3-8,10,12-13,26,28H,9,11H2,1-2H3,(H,27,33)(H,29,32)(H,30,31)/b20-13-
  InChIKey: GCZQBFMPHLFNIO-MOSHPQCFSA-N
• Cross-matching ID:
  PubChem CID: 25195216
  TTD ID: D04FNY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fibroblast growth factor receptor 1 (FGFR1)	TTRLW2X	FGFR1_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
Fibroblast growth factor receptor 1 (FGFR1)	DTT	FGFR1	4.79E-02	-0.03	-0.15

References

• [1] 5-Substituted pyrido[2,3-d]pyrimidine, an inhibitor against three receptor tyrosine kinases. Bioorg Med Chem Lett. 2009 Feb 1;19(3):745-50.