Details of the Drug

General Information of Drug (ID: DMS415A)

Drug Name
US10149841, Compound 9
Synonyms SCHEMBL19808943; US10149841, Compound 9; BDBM306798
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.24
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C14H10F2N2O5
IUPAC Name
2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
Canonical SMILES
C1=CC(=C(C(=C1)F)F)OC2=CC(=C(N=C2)C(=O)NCC(=O)O)O
InChI
InChI=1S/C14H10F2N2O5/c15-8-2-1-3-10(12(8)16)23-7-4-9(19)13(17-5-7)14(22)18-6-11(20)21/h1-5,19H,6H2,(H,18,22)(H,20,21)
InChIKey
CTRIOCMSHSAPNW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
134204791
ChEBI ID
CHEMBL4171364
TTD ID
D0QI0J
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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]
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References

1 Compound of 3-hydroxyl pyridine, preparation method thereof and pharmaceutical use thereof. US10149841.