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Compound Detail

CHEMBL3335347

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COc1c(Br)cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335347
Phase Preclinical
Structure Type MOL
InChI Key QXUKUHGSCMVFMH-NYYWCZLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.37
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Br2ClNO2
MW 443.52
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
25219901 10.1016/j.bmcl.2014.08.049 Leucine-rich repeat serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine