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Compound Detail

CHEMBL109296

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CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1

Basic Information

ChEMBL ID CHEMBL109296
Phase Preclinical
Structure Type MOL
InChI Key FNBJMQJWFBTPGJ-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)
3.73
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N4O
MW 349.22
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.96

Activity Summary

IC50 4 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.23 6.23 590.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.02 6.02 960.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.4 5.4 4000.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 5.35 5.35 4500.0 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