Details of the Drug

General Information of Drug (ID: DMVBGIT)

• Drug Name: BMS-180448
• Synonyms: C20H18ClN5O2; BMS 180448; CHEMBL11802; 144264-47-1; BMS-180448; trans-N-(4-Chlorophenyl)-N'-cyano-N''-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)guanidine; Guanidine, N-(4-chlorophenyl)-N'-cyano-N''-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-, trans-; Bms 180426; AC1L3TUP; DTXSID90162661; BDBM50409908; BMS-180426; LS-173206; 1-(4-chlorophenyl)-3-cyano-2-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 395.8
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H18ClN5O2
  IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine
  Canonical SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C
  InChI: InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m1/s1
  InChIKey: VLICJSLDCJXZBG-MSOLQXFVSA-N
• Cross-matching ID:
  PubChem CID: 60880
  CAS Number: 144301-94-0
  TTD ID: D08WCU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Agonist	[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 800004365)
• [2] The novel cardioprotective agent BMS-180448 activates a potassium conductance in cardiac and vascular smooth muscle. Naunyn Schmiedebergs Arch Pharmacol. 1996 Oct;354(4):444-51.