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Compound Detail

CHEMBL106232

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CN1CCN(CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106232
Phase Preclinical
Structure Type MOL
InChI Key NMLMUNQQEDDASM-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
4.13
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30Cl2N6O
MW 489.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.12

Activity Summary

IC50 7 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 7.22 7.22 60.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 7.22 7.22 60.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.62 6.62 240.0 2
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 6.15 6.15 710.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 60.0 nM 7.22 Inhibition of avian c-Src tyrosine kinase 9703473
Proto-oncogene tyrosine-protein kinase Src IC50 = 60.0 nM 7.22 Inhibitory activity against avian c-Src tyrosine kinase was determined. 10956222
Fibroblast growth factor receptor 1 IC50 = 240.0 nM 6.62 Inhibitory concentration evaluated against fibroblast growth factor receptor 1. 9703473
Fibroblast growth factor receptor 1 IC50 = 240.0 nM 6.62 Inhibitory activity against fibroblast growth factor receptor 1 10956222
Platelet-derived growth factor receptor beta IC50 = 710.0 nM 6.15 Inhibitory concentration was evaluated against Platelet-derived growth factor re... 9703473
Platelet-derived growth factor receptor beta IC50 = 710.0 nM 6.15 Inhibitory activity against mouse PDGF beta receptor tyrosine kinase 10956222
Epidermal growth factor receptor IC50 = 4500.0 nM 5.35 Inhibitory concentration was evaluated against epidermal growth factor receptor ... 9703473

Literature References

PubMed DOI Target Context # Activities
9703473 10.1021/jm9802259 Platelet-derived growth factor receptor beta 1
9703473 10.1021/jm9802259 Fibroblast growth factor receptor 1 1
9703473 10.1021/jm9802259 Proto-oncogene tyrosine-protein kinase Src 1
9703473 10.1021/jm9802259 Epidermal growth factor receptor 1
10956222 10.1021/jm000148t Proto-oncogene tyrosine-protein kinase Src 1
10956222 10.1021/jm000148t Platelet-derived growth factor receptor beta 1
10956222 10.1021/jm000148t Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine