Details of the Drug

General Information of Drug (ID: DM2DEOA)

Drug Name
US10100051, Compound 11
Synonyms SCHEMBL18122076; BDBM292142; US10100051, Compound 11; 2-(2-(3-(tert-butyl)phenoxy)-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) 409.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H23N3O5
IUPAC Name
2-[[2-(3-tert-butylphenoxy)-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=CC(=C3)C(C)(C)C
InChI
InChI=1S/C22H23N3O5/c1-12-18-15(20(28)19(24-12)21(29)23-11-17(26)27)8-9-16(25-18)30-14-7-5-6-13(10-14)22(2,3)4/h5-10,28H,11H2,1-4H3,(H,23,29)(H,26,27)
InChIKey
NYGCHYPUCCYURU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
137094889
ChEBI ID
CHEMBL5915122
TTD ID
D0VI2M
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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.