Details of the Drug

General Information of Drug (ID: DMBS50K)

Drug Name
US10149841, Compound 5
Synonyms SCHEMBL19808950; US10149841, Compound 5; BDBM306796
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.31
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H16N2O5
IUPAC Name
2-[[5-(2,3-dimethylphenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
Canonical SMILES
CC1=C(C(=CC=C1)OC2=CC(=C(N=C2)C(=O)NCC(=O)O)O)C
InChI
InChI=1S/C16H16N2O5/c1-9-4-3-5-13(10(9)2)23-11-6-12(19)15(17-7-11)16(22)18-8-14(20)21/h3-7,19H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKey
FSLSXJQWQVETMM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
134204798
ChEBI ID
CHEMBL5781370
TTD ID
D0OR4X
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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 3-hydroxyl pyridine, preparation method thereof and pharmaceutical use thereof. US10149841.