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Compound Detail

CHEMBL459736

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COc1cc(/C=N/NC(=O)CN2CCN(c3ccc(F)cc3)CC2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459736
Phase Preclinical
Structure Type MOL
InChI Key LWKFROGLOGOBFK-LPYMAVHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
1.81
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.58
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 C20H23FN4O3
MW 386.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.72

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