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Compound Detail

CHEMBL3109738

JNJ-26483327
Phase I
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Phase I
COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109738
Name JNJ-26483327
Phase Phase I
Structure Type MOL
InChI Key JXDYOSVKVSQGJM-UHFFFAOYSA-N

Known Names

JNJ 26483327 Jnj-26483327
10
Targets
10
Activities
2
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Indications
9
Mechanisms

Molecular Properties

457.4
MW (Da)
5.14
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C22H25BrN4O2
MW 457.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.18

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓
Tyrosine-protein kinase FYN inhibitor INHIBITOR Tyrosine-protein kinase Fyn ✓ ✓
Tyrosine-protein kinase LCK inhibitor INHIBITOR Tyrosine-protein kinase Lck ✓ ✓
Tyrosine-protein kinase Lyn inhibitor INHIBITOR Tyrosine-protein kinase Lyn ✓ ✓
Tyrosine-protein kinase SRC inhibitor INHIBITOR Proto-oncogene tyrosine-protein kinase Src ✓ ✓
Vascular endothelial growth factor receptor 3 inhibitor INHIBITOR Vascular endothelial growth factor receptor 3 ✓ ✓
Tyrosine-protein kinase YES inhibitor INHIBITOR Tyrosine-protein kinase Yes ✓ ✓
Receptor protein-tyrosine kinase erbB-4 inhibitor INHIBITOR Receptor tyrosine-protein kinase erbB-4 ✓ ✓
Receptor protein-tyrosine kinase erbB-2 inhibitor INHIBITOR Receptor tyrosine-protein kinase erbB-2 ✓ ✓

Indications

Neoplasms

Activity Summary

Kd 7 meas. best 8.22
IC50 3 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
 Kd 8.22 8.22 6.0 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 IC50 7.96 7.96 11.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 7.96 7.96 11.0 1
Receptor tyrosine-protein kinase erbB-4
CHEMBL3009
 IC50 7.96 7.96 11.0 1
Cyclin-G-associated kinase
CHEMBL4355
 Kd 6.92 6.92 120.0 1
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
 Kd 6.41 6.41 390.0 1
Epidermal growth factor receptor
CHEMBL203
 Kd 6.22 6.22 602.0 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Kd 5.62 5.62 2416.0 1
Ferrochelatase, mitochondrial
CHEMBL3879831
 Kd 5.4 5.4 3974.0 1
Serine/threonine-protein kinase 10
CHEMBL3981
 Kd 4.34 4.34 45148.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 80.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-gamma serine/threonine-protein kinase Kd = 6.0 nM 8.22 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor tyrosine-protein kinase erbB-4 IC50 = 11.0 nM 7.96 Inhibition of HER4 (unknown origin) 30878832
Proto-oncogene tyrosine-protein kinase Src IC50 = 11.0 nM 7.96 Inhibition of SRC (unknown origin) 30878832
Vascular endothelial growth factor receptor 3 IC50 = 11.0 nM 7.96 Inhibition of VEGFR3 (unknown origin) 30878832
Cyclin-G-associated kinase Kd = 120.0 nM 6.92 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-interacting serine/threonine-protein kinase 2 Kd = 390.0 nM 6.41 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Epidermal growth factor receptor Kd = 602.0 nM 6.22 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Proto-oncogene tyrosine-protein kinase receptor Ret Kd = 2416.0 nM 5.62 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Ferrochelatase, mitochondrial Kd = 3974.0 nM 5.4 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Serine/threonine-protein kinase 10 Kd = 45148.0 nM 4.34 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
30878832 10.1016/j.ejmech.2019.03.004 Vascular endothelial growth factor receptor 3 1
29191878 10.1126/science.aan4368 Beta-adrenergic receptor kinase 1 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-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
24044773 10.1021/jm400887j Mus musculus 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
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine