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Compound Detail

CHEMBL93346

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COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93346
Phase Preclinical
Structure Type MOL
InChI Key VEKZVINYTYXCAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.2
MW (Da)
4.15
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.76
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 C16H14BrN3O2
MW 360.21
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
8568816 10.1021/jm9503613 Epidermal growth factor receptor 1
8632415 10.1021/jm950692f Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine