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Compound Detail

CHEMBL221006

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CC(C)Oc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221006
Phase Preclinical
Structure Type MOL
InChI Key FZNUBZZLFQHEEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
5.76
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClFN6O
MW 450.91
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.79

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