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Compound Detail

CHEMBL190162

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CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl

Basic Information

ChEMBL ID CHEMBL190162
Phase Preclinical
Structure Type MOL
InChI Key QVJHVQPCRIXTMX-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
6.28
ALogP
5
HBA
3
HBD
82.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32Cl2N6O
MW 503.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.41

Activity Summary

IC50 5 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 7.85 7.85 14.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.8 7.67 16.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.89 6.89 130.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

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