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Compound Detail

CHEMBL200861

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Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200861
Phase Preclinical
Structure Type MOL
InChI Key NXUJOLZEKJPLBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
5.77
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN2O
MW 346.82
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.67

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