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Compound Detail

CHEMBL461621

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COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)Nc4ccc(OC)cc4OC)c3N2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461621
Phase Preclinical
Structure Type MOL
InChI Key PZVHPBTZNATPOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.82
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.53
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 C23H23F3N4O4
MW 476.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.51

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