Details of the Drug

General Information of Drug (ID: DMRXWCO)

Drug Name
BIBX-79
Synonyms
175033-26-8; BIBX-79; AC1L9UY2; BIBX 79; SCHEMBL8046646; SCHEMBL3363189; CHEMBL2377448; CHEMBL3765649; MolPort-028-951-512; ZINC59696570; ZINC238856506; ZINC100502012; AKOS034800865; MCULE-9414485243; EN300-155171; Z1768160684; 4-chloro-N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methyl-benzamide; 4-chloro-N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methylbenzamide; 4-Chloro-N-[4-(4-dimethylaminomethyl-phenyl)-cyclohexyl]-N-methyl-benzamide
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 384.9
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H29ClN2O
IUPAC Name
4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
Canonical SMILES
CN(C)CC1=CC=C(C=C1)C2CCC(CC2)N(C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O/c1-25(2)16-17-4-6-18(7-5-17)19-10-14-22(15-11-19)26(3)23(27)20-8-12-21(24)13-9-20/h4-9,12-13,19,22H,10-11,14-16H2,1-3H3
InChIKey
WBNUHWUTAHSPER-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
501396
TTD ID
D0S1XO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Effects of a novel 2,3-oxidosqualene cyclase inhibitor on the regulation of cholesterol biosynthesis in HepG2 cells. J Lipid Res. 1996 Jan;37(1):148-58.