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Compound Detail

CHEMBL365377

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CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3c(Cl)cccc3Cl)cc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365377
Phase Preclinical
Structure Type MOL
InChI Key WLFMHNCEKPWCEA-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

531.5
MW (Da)
7.06
ALogP
5
HBA
3
HBD
82.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36Cl2N6O
MW 531.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.28

Activity Summary

IC50 5 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.15 7.875 7.0 2
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 7.85 7.85 14.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.6 7.6 25.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 7.0 nM 8.15 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 14.0 nM 7.85 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ... 16000000
Fibroblast growth factor receptor 1 IC50 = 25.0 nM 7.6 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Vascular endothelial growth factor receptor 2 IC50 = 25.0 nM 7.6 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Platelet-derived growth factor receptor beta IC50 = 480.0 nM 6.32 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... 16000000

Literature References

PubMed DOI Target Context # Activities
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 1 2
16000000 10.1021/jm0500931 Vascular endothelial growth factor receptor 2 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor beta 1
16000000 10.1021/jm0500931 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine