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Compound Detail

CHEMBL3646215

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Cc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646215
Phase Preclinical
Structure Type MOL
InChI Key VBNCAZJDNCXKIO-UHFFFAOYSA-N
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.58
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O4
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.66

Activity Summary

IC50 10 meas. best 6.75
EC50 2 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN3
CHEMBL5705
 IC50 6.75 6.75 180.0 4
Egl nine homolog 1
CHEMBL5697
 IC50 6.19 6.1667 650.0 6
Vascular endothelial growth factor A, long form
CHEMBL1783
 EC50 4.38 4.38 42100.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 EC50 4.38 4.38 42100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN3 IC50 = 180.0 nM 6.75 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Prolyl hydroxylase EGLN3 IC50 = 180.0 nM 6.75 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Prolyl hydroxylase EGLN3 IC50 = 180.0 nM 6.75 ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,... -
Prolyl hydroxylase EGLN3 IC50 = 180.0 nM 6.75 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Egl nine homolog 1 IC50 = 650.0 nM 6.19 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Egl nine homolog 1 IC50 = 650.0 nM 6.19 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Egl nine homolog 1 IC50 = 650.0 nM 6.19 Inhibition of recombinant human PHD2 (179 to 426 residues) using HIF-1alpha (556... 26713111
Egl nine homolog 1 IC50 = 650.0 nM 6.19 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass ... -
Egl nine homolog 1 IC50 = 650.0 nM 6.19 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Egl nine homolog 1 IC50 = 890.4 nM 6.05 Displacement of FITC-HIF-1alpha (556 to 574 residues) from PHD2 (181 to 426 resi... 26713111
Vascular endothelial growth factor A, long form EC50 = 42100.0 nM 4.38 ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,... -
Vascular endothelial growth factor receptor 1 EC50 = 42100.0 nM 4.38 VEGF ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates a... -

Literature References

PubMed DOI Target Context # Activities
26713111 10.1021/acsmedchemlett.5b00394 Egl nine homolog 1 2

Data from ChEMBL 36 via Core Engine