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Compound Detail

CHEMBL448154

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CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21

Basic Information

ChEMBL ID CHEMBL448154
Phase Preclinical
Structure Type MOL
InChI Key DAZNPHVDUSTLGK-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
4.92
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Cl2N5O
MW 412.28
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.22

Activity Summary

IC50 4 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
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 7.0 7.0 100.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.96 6.96 110.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

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

Data from ChEMBL 36 via Core Engine