Details of the Drug

General Information of Drug (ID: DM6QT9P)

• Drug Name: BIBB-515
• Synonyms: BIBB 515; BIBB-515; 156635-05-1; UNII-CG2Q6688S4; CHEMBL417571; CG2Q6688S4; (4-Chloro-phenyl)-{4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl}-methanone; (4-chloro-phenyl)-(4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl)-methanone; AC1L9UY8; SCHEMBL3676833; CTK8E8258; DTXSID00333401; MolPort-009-019-333; ZINC598970; BDBM50128071; RT-011501; J-009325; 1-(4-Chlorobenzoyl)-4-((4-(2-oxazolin-2-yl) benzylidene))piperidine; Piperidine, 1-(4-chlorobenzoyl)-4-((4-(4,5-dihydro-2-oxazolyl)phenyl)methylene)-

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 380.9
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C22H21ClN2O2
  IUPAC Name: (4-chlorophenyl)-[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]methanone
  Canonical SMILES: C1CN(CCC1=CC2=CC=C(C=C2)C3=NCCO3)C(=O)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2
  InChIKey: JQNWPWUJMRAASQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 501398
  CAS Number: 156635-05-1
  TTD ID: D0I2YV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lanosterol synthase (LSS)	TT7O8ZA	ERG7_HUMAN	Modulator	[1]

References

• [1] Effects of a novel 2,3-oxidosqualene cyclase inhibitor on cholesterol biosynthesis and lipid metabolism in vivo. J Lipid Res. 1997 Mar;38(3):564-75.