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Compound Detail

CHEMBL3646221

VADADUSTAT
💊 Approved Drug
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💊 Approved Drug
O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646221
Name VADADUSTAT
Phase Approved
Structure Type MOL
InChI Key JGRXMPYUTJLTKT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

AKB-6548 B-506 B506 PG-1016548 PG1016548 Vadadustat Vafseo
11
Targets
28
Activities
3
Assay Types
1
PK Parameters
20
Publications
7
Known Names
4
Indications
3
Mechanisms

Molecular Properties

306.7
MW (Da)
1.92
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Stem -stat
USAN Year 2015

Extended Properties

Molecular Formula C14H11ClN2O4
MW 306.71
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.91

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Egl nine homolog 1 inhibitor INHIBITOR Egl nine homolog 1 ✓ ✓
Egl nine homolog 3 inhibitor INHIBITOR Prolyl hydroxylase EGLN3 ✓ ✓
Hypoxia-inducible factor prolyl hydroxylase 1 inhibitor INHIBITOR Prolyl hydroxylase EGLN2 ✓ ✓

Indications

Anemia Anemia Renal Insufficiency, Chronic Liver Diseases

ATC Classification

B03XA08
vadadustat
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTIANEMIC PREPARATIONS

Drug Warnings

Black Box Warning
General Warning
Country: United States
Black Box Warning
cardiotoxicity
Country: United States

Activity Summary

IC50 25 meas. best 7.54
EC50 2 meas. best 5.12
Ki 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 7.54 6.3338 29.0 13
Prolyl 4-hydroxylase
CHEMBL4523368
 Ki 6.55 6.55 280.0 1
Prolyl hydroxylase EGLN3
CHEMBL5705
 IC50 6.41 6.41 390.0 4
Prolyl 3-hydroxylase OGFOD1
CHEMBL4523398
 IC50 5.85 5.85 1400.0 1
Unchecked
CHEMBL612545
 IC50 5.69 5.45 2041.7 2
Methylcytosine dioxygenase TET2
CHEMBL4523344
 IC50 5.3 5.3 5011.9 1
Methylcytosine dioxygenase TET3
CHEMBL4879414
 IC50 5.26 5.26 5495.4 1
Methylcytosine dioxygenase TET1
CHEMBL4523402
 IC50 5.2 5.2 6309.6 1
Vascular endothelial growth factor A, long form
CHEMBL1783
 EC50 5.12 5.12 7600.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 EC50 5.12 5.12 7600.0 1
Hypoxia-inducible factor 1-alpha inhibitor
CHEMBL5909
 IC50 4.54 4.54 29000.0 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.5 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 29.0 nM 7.54 Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor... 30737136
Egl nine homolog 1 IC50 = 29.0 nM 7.54 Inhibition of N-terminal His tagged PHD2 (181 to 426 residues) (unknown origin) ... 34029087
Egl nine homolog 1 IC50 = 256.9 nM 6.59 Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by f... 37367818
Prolyl 4-hydroxylase Ki = 280.0 nM 6.55 Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella v... 30737136
Prolyl hydroxylase EGLN3 IC50 = 390.0 nM 6.41 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Prolyl hydroxylase EGLN3 IC50 = 390.0 nM 6.41 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Egl nine homolog 1 IC50 = 390.0 nM 6.41 Inhibition of recombinant human HIF-PHD2 using DLDLEALAPYIPADDDFQL as substrate ... -
Prolyl hydroxylase EGLN3 IC50 = 390.0 nM 6.41 ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,... -
Prolyl hydroxylase EGLN3 IC50 = 390.0 nM 6.41 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Egl nine homolog 1 IC50 = 410.0 nM 6.39 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Egl nine homolog 1 IC50 = 410.0 nM 6.39 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Egl nine homolog 1 IC50 = 410.0 nM 6.39 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass ... -
Egl nine homolog 1 IC50 = 410.0 nM 6.39 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Egl nine homolog 1 IC50 = 1100.0 nM 5.96 Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp... -
Egl nine homolog 1 IC50 = 1100.0 nM 5.96 EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin... -
Egl nine homolog 1 IC50 = 1100.0 nM 5.96 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass ... -
Egl nine homolog 1 IC50 = 1100.0 nM 5.96 Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u... -
Prolyl 3-hydroxylase OGFOD1 IC50 = 1400.0 nM 5.85 Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-fact... 30737136
Unchecked IC50 = 2041.74 nM 5.69 Inhibition of N-terminal His-tagged recombinant human TET2 catalytic domain LCId... 38294854
Methylcytosine dioxygenase TET2 IC50 = 5011.87 nM 5.3 Inhibition of His10-FLAG tagged human TET2 catalytic domain (Q969 to I2002 resid... 38294854

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
38294854 10.1021/acs.jmedchem.3c01820 Unchecked 2
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET1 2
37367818 10.1021/acs.jmedchem.3c00231 Unchecked 2
30737136 10.1016/j.bmc.2019.01.018 Prolyl 4-hydroxylase 2
29712435 10.1021/acs.jmedchem.7b01686 Homo sapiens 1
30737136 10.1016/j.bmc.2019.01.018 Egl nine homolog 1 1
30737136 10.1016/j.bmc.2019.01.018 Hypoxia-inducible factor 1-alpha inhibitor 1
30737136 10.1016/j.bmc.2019.01.018 Prolyl 3-hydroxylase OGFOD1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.1039/C6MD00240D Egl nine homolog 1 1
34709043 10.1021/acs.jmedchem.1c01479 Unchecked 1
34709043 10.1021/acs.jmedchem.1c01479 Danio rerio 1
34029087 10.1021/acs.jmedchem.1c00415 Egl nine homolog 1 1
34029087 10.1021/acs.jmedchem.1c00415 Hypoxia-inducible factor 1-alpha inhibitor 1
37367818 10.1021/acs.jmedchem.3c00231 Egl nine homolog 1 1
29712435 10.1021/acs.jmedchem.7b01686 Egl nine homolog 1 1
29681433 10.1016/j.bmcl.2018.04.039 Homo sapiens 1
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET2 1
38294854 10.1021/acs.jmedchem.3c01820 U2OS 1

Data from ChEMBL 36 via Core Engine