Details of the Drug

General Information of Drug (ID: DMMWCU3)

• Drug Name: Licostinel
• Synonyms: Licostinel; 153504-81-5; ACEA 1021; ACEA-1021; UNII-3Z3037LJTC; 6,7-Dichloro-5-nitro-2,3-quinoxalinedione; 5-Nitro-6,7-dichloro-2,3-quinoxalinedione; 5-Nitro-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione; 6,7-Dichloro-1,4-dihydro-5-nitro-2,3-quinoxalinedione; CHEMBL289832; 3Z3037LJTC; 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione; 6,7-DICHLORO-5-NITROQUINOXALINE-2,3(1H,4H)-DIONE; 2,3-Quinoxalinedione, 6,7-dichloro-1,4-dihydro-5-nitro-; Licostinel [USAN]; Licostinel [USAN:INN]; C8H3Cl2N3O4; AC1NUOFE; Licostinel (USAN/

Indication

Disease Entry	ICD 11	Status	REF
Neurological disorder	6B60	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 276.03
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H3Cl2N3O4
  IUPAC Name: 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
  Canonical SMILES: C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=O)N2
  InChI: InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
  InChIKey: CHFSOFHQIZKQCR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5486198
  CAS Number: 153504-81-5
  TTD ID: D09CKF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003616)
• [2] Neuroprotective agents for the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2003 Jan;3(1):9-20.