General Information of the Compound
Compound ID
CP0066265
Compound Name
US11426393, Compound Table XV.4
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Synonyms
BDBM107698
CHEMBL3646215
SCHEMBL1923034
US8598210, Table XV, 4
US8722895, 4: [(3-Hydroxy-5-(4-methylphenyl)pyridine-2- carbonyl)amino]-acetic acid
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Structure
Formula
C15H14N2O4
Molecular Weight
286.287
Canonical SMILES
Cc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
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InChI
InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
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InChIKey
VBNCAZJDNCXKIO-UHFFFAOYSA-N
Physicochemical Property
logP
1.57702
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
99.52
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 24891734
SID: 51084241
ChEMBL ID
CHEMBL3646215
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03142, Vascular endothelial growth factor A, long form
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 42100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( US8598210, Table XV, 4 )
Drug Name US8598210, Table XV, 4
Target(s)
HIF-prolyl hydroxylase 2 (HPH-2)
Inhibitor