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Compound Detail

CHEMBL222829

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N#Cc1cnc2ccc(CCc3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222829
Phase Preclinical
Structure Type MOL
InChI Key JNYUZBIDWMZOBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
6.43
ALogP
3
HBA
1
HBD
48.7
PSA (Ų)
0.42
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 C24H17ClFN3
MW 401.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
16973359 10.1016/j.bmcl.2006.08.102 Mitogen-activated protein kinase kinase kinase 8 1

Data from ChEMBL 36 via Core Engine