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Compound Detail

CHEMBL3633937

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N#CC(C#N)=CNc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633937
Phase Preclinical
Structure Type MOL
InChI Key JGCYWQUYTPYNRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.8
MW (Da)
7.47
ALogP
7
HBA
2
HBD
106.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H13Cl3N6O
MW 507.77
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
26475520 10.1016/j.bmcl.2015.10.003 Epidermal growth factor receptor 1
26475520 10.1016/j.bmcl.2015.10.003 Receptor tyrosine-protein kinase erbB-2 1

Data from ChEMBL 36 via Core Engine