Details of the Drug

General Information of Drug (ID: DMXA6LU)

Drug Name
SC-52892
Synonyms CHEMBL9642; SC-52892; SCHEMBL7679693; MIKRUZGZQMVMAG-UHFFFAOYSA-N; BDBM50281814; L007546; 1,4-Dibutyl-3-{6-[2-(1H-tetrazol-5-yl)-phenyl]-pyridin-3-ylmethyl}-1,3-dihydro-imidazol-2-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [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) 3.8
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H29N7O
IUPAC Name
1,4-dibutyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one
Canonical SMILES
CCCCC1=CN(C(=O)N1CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC
InChI
InChI=1S/C24H29N7O/c1-3-5-9-19-17-30(14-6-4-2)24(32)31(19)16-18-12-13-22(25-15-18)20-10-7-8-11-21(20)23-26-28-29-27-23/h7-8,10-13,15,17H,3-6,9,14,16H2,1-2H3,(H,26,27,28,29)
InChIKey
MIKRUZGZQMVMAG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9932483
ChEBI ID
CHEMBL9642
TTD ID
D0O0SH
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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).