Details of the Drug

General Information of Drug (ID: DMLJ8T7)

Drug Name
SC-55634
Synonyms CHEMBL9599; SC-55634; BDBM50281823
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): 1 Molecular Weight (mw) 485.6
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C28H35N7O
IUPAC Name
4-butyl-1-[(2S,6R)-2,6-dimethylcyclohexyl]-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)C5[C@@H](CCC[C@@H]5C)C
InChI
InChI=1S/C28H35N7O/c1-4-5-11-22-18-35(26-19(2)9-8-10-20(26)3)28(36)34(22)17-21-14-15-25(29-16-21)23-12-6-7-13-24(23)27-30-32-33-31-27/h6-7,12-16,18-20,26H,4-5,8-11,17H2,1-3H3,(H,30,31,32,33)/t19-,20+,26?
InChIKey
GBXQWPCVQAHRBS-NJEHHLDASA-N
Cross-matching ID
PubChem CID
9935096
TTD ID
D0MH1K
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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).