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Compound Detail

CHEMBL516655

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CCN1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516655
Phase Preclinical
Structure Type MOL
InChI Key OXYQGBJLVXBVAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
3.88
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN4
MW 368.91
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
18783202 10.1021/jm800539g Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine