Details of the Drug

General Information of Drug (ID: DMB26LO)

Drug Name
SC-51316
Synonyms
SC-51316; SC 51316; 133690-62-7; CHEMBL87778; 2,5-Dibutyl-2,4-dihydro-4-((2-(1H-tetrazol-5-yl)(1,1-biphenyl)-4-yl)methyl)-3H-1,2,4-triazol-3-one; ACMC-20mv1m; AC1L2ZJY; SCHEMBL7398914; CTK4B8747; DTXSID30158321; BDBM50044355; 2,5-Dibutyl-2,4-dihydro-4-((2-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4'-yl)methyl)-3H-1,2,4-triazol-3-one; L008865; 2,5-Dibutyl-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolidin-3-one; 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 431.5
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H29N7O
IUPAC Name
2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Canonical SMILES
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC
InChI
InChI=1S/C24H29N7O/c1-3-5-11-22-27-31(16-6-4-2)24(32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-25-28-29-26-23/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,26,28,29)
InChIKey
STODEQQYGGTXOS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131654
ChEBI ID
CHEMBL87778
CAS Number
133690-62-7
TTD ID
D0O0QG
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
Angiotensin II receptor (AGTR) TTGN1ZA NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 800001569)
2 In vitro pharmacology of a nonpeptidic angiotensin II receptor antagonist, SC-51316. J Pharmacol Exp Ther. 1992 Jun;261(3):1037-43.