Details of the Drug | DrugMAP

General Information of Drug (ID: DMBS50K)

Drug Name	US10149841, Compound 5
Synonyms	SCHEMBL19808950; US10149841, Compound 5; BDBM306796
Drug Type	Small molecular drug
Structure
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 TTD ID D0OR4X

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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Molecular Interaction Atlas (MIA)

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References

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