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Compound Detail

CHEMBL3184679

AZD-4547
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COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3184679
Name AZD-4547
Phase Preclinical
Structure Type MOL
InChI Key VRQMAABPASPXMW-UHFFFAOYSA-N
19
Targets
19
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
3.65
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H33N5O3
MW 463.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.80

Activity Summary

Kd 19 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 Kd 8.7 8.7 2.0 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
 Kd 8.22 8.22 6.0 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Kd 7.54 7.54 29.0 1
Mitogen-activated protein kinase kinase kinase kinase 3
CHEMBL5432
 Kd 7.31 7.31 49.0 1
Epithelial discoidin domain-containing receptor 1
CHEMBL5319
 Kd 7.25 7.25 56.0 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
 Kd 6.96 6.96 110.0 1
Activated CDC42 kinase 1
CHEMBL4599
 Kd 6.83 6.83 148.0 1
Eukaryotic translation initiation factor 2-alpha kinase 1
CHEMBL6029
 Kd 6.77 6.77 170.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 Kd 6.54 6.54 288.0 1
Mitogen-activated protein kinase kinase kinase kinase 1
CHEMBL5749
 Kd 6.45 6.45 354.0 1
TRAF2 and NCK-interacting protein kinase
CHEMBL4527
 Kd 5.86 5.86 1387.0 1
Aurora kinase B
CHEMBL2185
 Kd 5.78 5.78 1672.0 1
High affinity nerve growth factor receptor
CHEMBL2815
 Kd 5.65 5.65 2252.0 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
 Kd 5.3 5.3 4960.0 1
Serine/threonine-protein kinase 26
CHEMBL5941
 Kd 5.3 5.3 4996.0 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
 Kd 5.04 5.04 9024.0 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
 Kd 5.02 5.02 9540.0 1
Discoidin domain-containing receptor 2
CHEMBL5122
 Kd 4.89 4.89 12899.0 1
Mitogen-activated protein kinase kinase kinase 11
CHEMBL2708
 Kd 4.58 4.58 25999.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 Kd = 2.0 nM 8.7 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase kinase 5 Kd = 6.0 nM 8.22 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Proto-oncogene tyrosine-protein kinase receptor Ret Kd = 29.0 nM 7.54 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase kinase 3 Kd = 49.0 nM 7.31 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Epithelial discoidin domain-containing receptor 1 Kd = 56.0 nM 7.25 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase kinase 2 Kd = 110.0 nM 6.96 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Activated CDC42 kinase 1 Kd = 148.0 nM 6.83 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Eukaryotic translation initiation factor 2-alpha kinase 1 Kd = 170.0 nM 6.77 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Platelet-derived growth factor receptor beta Kd = 288.0 nM 6.54 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase kinase 1 Kd = 354.0 nM 6.45 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
TRAF2 and NCK-interacting protein kinase Kd = 1387.0 nM 5.86 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Aurora kinase B Kd = 1672.0 nM 5.78 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
High affinity nerve growth factor receptor Kd = 2252.0 nM 5.65 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase MARK2 Kd = 4960.0 nM 5.3 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase 26 Kd = 4996.0 nM 5.3 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
MAP/microtubule affinity-regulating kinase 3 Kd = 9024.0 nM 5.04 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase 20 Kd = 9540.0 nM 5.02 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Discoidin domain-containing receptor 2 Kd = 12899.0 nM 4.89 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase 11 Kd = 25999.0 nM 4.58 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 4
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Mitogen-activated protein kinase kinase kinase 20 1
29191878 10.1126/science.aan4368 Adenosine kinase 1
29191878 10.1126/science.aan4368 Uncharacterized aarF domain-containing protein kinase 5 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 AarF domain-containing protein kinase 1 1
29191878 10.1126/science.aan4368 Activin receptor type-1-like 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 1 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1

Data from ChEMBL 36 via Core Engine