Details of the Drug

General Information of Drug (ID: DMWESZ1)

Drug Name
US10100051, Compound 2
Synonyms SCHEMBL18122063; US10100051, Compound 2; BDBM292133; (2-(2-(4-fluorophenoxy)-5-hydroxy-8-methyl-1,7-naphthyridine-6-formamido) acetic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.3
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C18H14FN3O5
IUPAC Name
2-[[2-(4-fluorophenoxy)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid
Canonical SMILES
CC1=C2C(=C(C(=N1)C(=O)NCC(=O)O)O)C=CC(=N2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C18H14FN3O5/c1-9-15-12(17(25)16(21-9)18(26)20-8-14(23)24)6-7-13(22-15)27-11-4-2-10(19)3-5-11/h2-7,25H,8H2,1H3,(H,20,26)(H,23,24)
InChIKey
ZGAARGWNIMGZMM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
137094886
ChEBI ID
CHEMBL5887903
TTD ID
D04BTN
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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 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof. US10100051.