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Compound Detail

CHEMBL88972

PYRIDINE-2,5-DICARBOXYLIC ACID
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O=C(O)c1ccc(C(=O)O)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88972
Name PYRIDINE-2,5-DICARBOXYLIC ACID
Phase Preclinical
Structure Type MOL
InChI Key LVPMIMZXDYBCDF-UHFFFAOYSA-N
4
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

167.1
MW (Da)
0.48
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5NO4
MW 167.12
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.59

Activity Summary

IC50 10 meas. best 5.29
Ki 7 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl 4-hydroxylase subunit alpha-1
CHEMBL3301
 Ki 6.1 6.1 800.0 1
Unchecked
CHEMBL612545
 Ki 6.1 6.1 800.0 2
Prolyl 4-hydroxylase subunit alpha-1
CHEMBL1250350
 Ki 5.58 5.58 2600.0 1
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
 IC50 5.29 5.27 5180.0 3
Prolyl 4-hydroxylase subunit alpha-1
CHEMBL3301
 IC50 5.29 5.29 5180.0 1
Unchecked
CHEMBL612545
 IC50 5.26 5.26 5500.0 1
Prolyl 4-hydroxylase subunit alpha-1
CHEMBL1250350
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl 4-hydroxylase subunit alpha-1 Ki = 800.0 nM 6.1 Inhibitory activity against prolyl 4-hydroxylase 1321909
Unchecked Ki = 800.0 nM 6.1 Inhibition of human collagene prolyl-4-hydroxylase 18942826
Unchecked Ki = 800.0 nM 6.1 Inhibition of human collagen prolyl 4-hydroxylase 26022078
Prolyl 4-hydroxylase subunit alpha-1 Ki = 2600.0 nM 5.58 Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origam... 26022078
Prolyl 4-hydroxylase subunit alpha-1 IC50 = 5180.0 nM 5.29 Compound was evaluated for the inhibition of prolyl 4-hydroxylase 1321909
Transmembrane prolyl 4-hydroxylase IC50 = 5180.0 nM 5.29 Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-suc... 8254616
Transmembrane prolyl 4-hydroxylase IC50 = 5500.0 nM 5.26 Inhibition of prolyl 4-hydroxylase 1312598
Transmembrane prolyl 4-hydroxylase IC50 = 5500.0 nM 5.26 Inhibition of prolyl 4-hydroxylase activity by an indirect assay 1312599
Unchecked IC50 = 5500.0 nM 5.26 Inhibition of collagen prolyl 4-hydroxylase (unknown origin) 29986141
Prolyl 4-hydroxylase subunit alpha-1 IC50 = 15000.0 nM 4.82 Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origam... 26022078

Literature References

PubMed DOI Target Context # Activities
17307979 10.1128/aac.00866-06 Unchecked 5
18942826 10.1021/jm800936s Unchecked 5
26022078 10.1016/j.bmc.2015.05.003 Prolyl 4-hydroxylase subunit alpha-1 3
22464683 10.1016/j.bmc.2012.03.013 Unchecked 2
1312599 10.1021/jm00083a002 Transmembrane prolyl 4-hydroxylase 2
17307979 10.1128/aac.00866-06 Metallo beta-lactamase 2
17307979 10.1128/aac.00866-06 Beta-lactamase 2
1321909 10.1021/jm00092a016 Prolyl 4-hydroxylase subunit alpha-1 2
18942826 10.1021/jm800936s Egl nine homolog 1 1
21189019 10.1021/jm101266s Tyrosinase 1
21189019 10.1021/jm101266s Neutrophil collagenase 1
34792334 10.1021/acs.jmedchem.1c01694 Lysine-specific demethylase 4E 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s Nitric oxide synthase, inducible 1
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
18942826 10.1021/jm800936s Prolyl hydroxylase EGLN3 1
18942826 10.1021/jm800936s Prolyl hydroxylase EGLN2 1
17307979 10.1128/aac.00866-06 Beta-lactamase L1 1
8254616 10.1021/jm00076a014 Transmembrane prolyl 4-hydroxylase 1

Data from ChEMBL 36 via Core Engine