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Compound Detail

CHEMBL31118

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CN(C)CCOc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31118
Phase Preclinical
Structure Type MOL
InChI Key JOJWRSKVHPYAGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
3.95
ALogP
6
HBA
1
HBD
74.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrN5O
MW 412.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
15006373 10.1016/j.bmcl.2004.01.034 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine