Details of the Drug

General Information of Drug (ID: DM8UDSF)

Drug Name
SC-50560
Synonyms SC-50560; CHEMBL85595; SCHEMBL8294789; SCHEMBL6444071; BDBM50046078; L006223; 5-[4''-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-biphenyl-2-yl]-2H-tetrazole
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 415.5
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H29N7
IUPAC Name
5-[2-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
Canonical SMILES
CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C24H29N7/c1-3-5-11-22-25-23(12-6-4-2)31(28-22)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)24-26-29-30-27-24/h7-10,13-16H,3-6,11-12,17H2,1-2H3,(H,26,27,29,30)
InChIKey
LRZYXWIVLLNUPK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9931685
ChEBI ID
CHEMBL85595
TTD ID
D0RG2P
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin II receptor type-2 (AGTR2) TTQVOEI AGTR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 N1-sterically hindered 2H-imidazol-2-one angiotensin II receptor antagonists: The conversion of surmountable antagonists to insurmountable antagonists, Bioorg. Med. Chem. Lett. 3(6):1055-1060 (1993).