Details of the Drug

General Information of Drug (ID: DMCDU8K)

• Drug Name: GNF-PF-4478
• Synonyms: GNF-Pf-4478; CHEMBL597857; SMR000042305; AC1LD5U9; MLS000036444; cid_661700; MolPort-002-590-307; HMS2349M09; ZINC20191037; MMV006587; STK552090; BDBM50322743; AKOS005479117; MCULE-5579816479; NCGC00019462-02; NCGC00019462-01; 8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]indol-4-amine; 8-chloro-N-[3-(morpholin-4-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine; 8-chloro-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

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); 345.8
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H20ClN5O
  IUPAC Name: 8-chloro-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
  Canonical SMILES: C1COCCN1CCCNC2=NC=NC3=C2NC4=C3C=C(C=C4)Cl
  InChI: InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)
  InChIKey: ULJISGNQAXNPOC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 661700
  TTD ID: D06DKB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin-degrading enzyme (IDE)	TT2EDHU	IDE_HUMAN	Inhibitor	[1]
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[2]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [2] Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem. 2010 Jul 8;53(13):4891-905.