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Compound Detail

CHEMBL374258

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N#Cc1cnc2cc(OC(F)(F)F)c(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374258
Phase Preclinical
Structure Type MOL
InChI Key MNDBELVMDYVKLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.8
MW (Da)
5.88
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13ClF4N6O
MW 476.82
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.75

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