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Compound Detail

CHEMBL4096391

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CNc1cc(C(C)(C)C(=O)Nc2c(F)ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2F)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096391
Phase Preclinical
Structure Type MOL
InChI Key UEMAXLYWMHNAMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

527.9
MW (Da)
5.64
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClF5N5O2
MW 527.88
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
28242553 10.1016/j.ejmech.2017.02.041 Serine/threonine-protein kinase B-raf 2

Data from ChEMBL 36 via Core Engine