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Compound Detail

CHEMBL198904

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Cc1c(Br)cccc1Nc1c(C#N)cnc2cnc(NCCN3CCOCC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198904
Phase Preclinical
Structure Type MOL
InChI Key FKWYYDQDYYWWEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
4.06
ALogP
7
HBA
2
HBD
86.1
PSA (Ų)
0.57
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 C22H23BrN6O
MW 467.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.64

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