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Compound Detail

CHEMBL293132

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CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC3CCCCC3)nc2n1

Basic Information

ChEMBL ID CHEMBL293132
Phase Preclinical
Structure Type MOL
InChI Key LSALXSOZDWYUQQ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

558.6
MW (Da)
6.99
ALogP
6
HBA
3
HBD
95.1
PSA (Ų)
0.22
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 C28H37Cl2N7O
MW 558.56
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.21

Activity Summary

IC50 3 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 7.92 7.92 12.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.37 7.37 43.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine