General Information of Drug (ID: DMJKS4X)

Drug Name
US10100051, Compound 1
Synonyms SCHEMBL18122067; US10100051, Compound 1; BDBM292132; 2-(5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-formamido) acetic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.3
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H15N3O5
IUPAC Name
2-[(5-hydroxy-8-methyl-2-phenoxy-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=CC=C3
InChI
InChI=1S/C18H15N3O5/c1-10-15-12(17(24)16(20-10)18(25)19-9-14(22)23)7-8-13(21-15)26-11-5-3-2-4-6-11/h2-8,24H,9H2,1H3,(H,19,25)(H,22,23)
InChIKey
FMQZRTFVSFAASE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
137094888
TTD ID
D05FDR

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.