Details of the Drug

General Information of Drug (ID: DMGINBT)

• Drug Name: SGC707
• Synonyms: 1687736-54-4; SGC 707; SGC-707; 1-Isoquinolin-6-Yl-3-[2-Oxo-2-(Pyrrolidin-1-Yl)ethyl]urea; GTPL8552; KS-00000THM; AOB5757; MolPort-039-101-300; EX-A1304; BCP16746; s7832; ZINC220951188; AKOS025142099; CS-5370; ACN-053041; NCGC00384204-04; HY-19715; AK546586; SGC707, > AS-16917; FT-0700238; J-690235; 1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea; 1-(isoquinolin-6-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea; 1-(Isoquinolin-6-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl] urea

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); 298.34
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H18N4O2
  IUPAC Name: 1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
  Canonical SMILES: C1CCN(C1)C(=O)CNC(=O)NC2=CC3=C(C=C2)C=NC=C3
  InChI: InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
  InChIKey: DMIDPTCQPIJYFE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90642938
  TTD ID: D00JWB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein arginine methyltransferase 3 (PRMT3)	TTL4XSQ	ANM3_HUMAN	Modulator (allosteric modulator)	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Protein arginine N-methyltransferase 3 (PRMT3)	OTH2KILE	ANM3_HUMAN	Protein Interaction/Cellular Processes	[1]

References

• [1] A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase (PRMT3). Angew Chem Int Ed Engl. 2015 Apr 20;54(17):5166-70.