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Compound Detail

CHEMBL200782

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OC1CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200782
Phase Preclinical
Structure Type MOL
InChI Key SRJZHPJMEZGLLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
4.79
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O
MW 353.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
16260133 10.1016/j.bmcl.2005.09.072 Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine