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Compound Detail

CHEMBL31437

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CN(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31437
Phase Preclinical
Structure Type MOL
InChI Key OCSKDLSKHJPMJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.8
MW (Da)
3.98
ALogP
6
HBA
1
HBD
74.1
PSA (Ų)
0.69
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 C19H17ClFN5O
MW 385.83
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.05

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