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Compound Detail

CHEMBL198647

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CN(Cc1ccccc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198647
Phase Preclinical
Structure Type MOL
InChI Key WYRYPKHMUJUPOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
5.67
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClFN5
MW 417.88
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
16165349 10.1016/j.bmcl.2005.08.029 Mitogen-activated protein kinase kinase kinase 8 1

Data from ChEMBL 36 via Core Engine