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Compound Detail

CHEMBL3646227

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CNC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646227
Phase Preclinical
Structure Type MOL
InChI Key FLEKXPKWSFKURA-UHFFFAOYSA-N
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.8
MW (Da)
1.58
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.80
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 C15H14ClN3O3
MW 319.75
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.28

Activity Summary

IC50 8 meas. best 5.92
EC50 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 5.92 5.92 1200.0 4
Prolyl hydroxylase EGLN3
CHEMBL5705
 IC50 5.89 5.89 1300.0 4
Vascular endothelial growth factor A, long form
CHEMBL1783
 EC50 5.85 5.85 1400.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 EC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 1200.0 nM 5.92 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Egl nine homolog 1 IC50 = 1200.0 nM 5.92 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Egl nine homolog 1 IC50 = 1200.0 nM 5.92 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass ... -
Egl nine homolog 1 IC50 = 1200.0 nM 5.92 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Prolyl hydroxylase EGLN3 IC50 = 1300.0 nM 5.89 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Prolyl hydroxylase EGLN3 IC50 = 1300.0 nM 5.89 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Prolyl hydroxylase EGLN3 IC50 = 1300.0 nM 5.89 ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,... -
Prolyl hydroxylase EGLN3 IC50 = 1300.0 nM 5.89 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Vascular endothelial growth factor A, long form EC50 = 1400.0 nM 5.85 ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,... -
Vascular endothelial growth factor receptor 1 EC50 = 1400.0 nM 5.85 VEGF ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates a... -

Data from ChEMBL 36 via Core Engine