Details of the Drug

General Information of Drug (ID: DMFQERG)

Drug Name
US9340511, 5
Synonyms SCHEMBL523724; CHEMBL3970151; JPXYINYXIDIDQY-UHFFFAOYSA-N; BDBM227556; US9340511, 5; 2-[4-hydroxy-1-methyl-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxamido]acetic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 382.4
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H18N2O6
IUPAC Name
2-[[4-hydroxy-7-(4-methoxyphenoxy)-1-methylisoquinoline-3-carbonyl]amino]acetic acid
Canonical SMILES
CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18N2O6/c1-11-16-9-14(28-13-5-3-12(27-2)4-6-13)7-8-15(16)19(25)18(22-11)20(26)21-10-17(23)24/h3-9,25H,10H2,1-2H3,(H,21,26)(H,23,24)
InChIKey
JPXYINYXIDIDQY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11440448
ChEBI ID
CHEMBL3970151
TTD ID
D0LO2C
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HIF-prolyl hydroxylase 2 (HPH-2) TT9ISBX EGLN1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Process for making isoquinoline compounds. US9708269.