Details of the Drug

General Information of Drug (ID: DM5A4TP)

Drug Name
Spiroimidazolone derivative 7
Synonyms PMID25828189-Compound-34
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 607.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 11
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C34H46FN3O4Si
IUPAC Name
3-[[4-[(1R)-1-[2-(3-fluorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoyl]amino]propanoic acid
Canonical SMILES
CC(C)(C)CC[C@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=O)C(=NC23CCC(CC3)[Si](C)(C)C)C4=CC(=CC=C4)F
InChI
InChI=1S/C34H46FN3O4Si/c1-33(2,3)18-16-28(23-10-12-24(13-11-23)31(41)36-21-17-29(39)40)38-32(42)30(25-8-7-9-26(35)22-25)37-34(38)19-14-27(15-20-34)43(4,5)6/h7-13,22,27-28H,14-21H2,1-6H3,(H,36,41)(H,39,40)/t27?,28-,34?/m1/s1
InChIKey
RBMROQXTXSWPGO-IXDCWVCYSA-N
Cross-matching ID
PubChem CID
53467170
ChEBI ID
CHEMBL3617563
TTD ID
D0AJ3F
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucagon receptor (GCGR) TT9O6WS GLR_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glucagon receptor (GCGR) DTT GCGR 7.24E-02 -0.52 -0.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Small molecule glucagon receptor antagonists: a patent review (2011 - 2014).Expert Opin Ther Pat. 2015 Jul;25(7):819-30.