Details of the Drug

General Information of Drug (ID: DMIUD0L)

• Drug Name: B-623
• Synonyms: 149732-37-6

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 322.4
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H14N2O2S
  IUPAC Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-benzothiophene-2-carboximidamide
  Canonical SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/C3=C4C=C(SC4=CC=C3)C(=N)N
  InChI: InChI=1S/C18H14N2O2S/c19-18(20)17-9-13-12(2-1-3-16(13)23-17)6-4-11-5-7-14-15(8-11)22-10-21-14/h1-9H,10H2,(H3,19,20)/b6-4+
  InChIKey: BGFUKOBHJOFLNH-GQCTYLIASA-N
• Cross-matching ID:
  PubChem CID: 9820186
  TTD ID: D05DNW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_HUMAN	Modulator	[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
Urokinase-type plasminogen activator (PLAU)	DTT	PLAU	5.32E-70	1.07	1.82

References

• [1] Angiostatic activity of synthetic inhibitors of urokinase type plasminogen activator. Oncol Rep. 1999 May-Jun;6(3):523-6.