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Compound Detail

CHEMBL3633935

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CCOC(=O)C(=CNc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633935
Phase Preclinical
Structure Type MOL
InChI Key ZZPJUIRSEQUVBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

601.9
MW (Da)
7.55
ALogP
9
HBA
2
HBD
111.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23Cl3N4O5
MW 601.87
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.17

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