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Compound Detail

CHEMBL214173

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O=C1C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214173
Phase Preclinical
Structure Type MOL
InChI Key HQEUNYHHPDEVEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

341.2
MW (Da)
3.95
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9BrN2O2
MW 341.16
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
16854069 10.1021/jm060314i SH-SY5Y 1
16854069 10.1021/jm060314i Glycogen synthase kinase-3 1
16854069 10.1021/jm060314i Cyclin-dependent kinase 5/CDK5 activator 1 1
16854069 10.1021/jm060314i Unchecked 1
17665890 10.1021/jm070077z Aurora kinase A 1
17665890 10.1021/jm070077z Aurora kinase B 1
17665890 10.1021/jm070077z Aurora kinase C 1
21802947 10.1016/j.bmcl.2011.07.011 IMR-32 1
21802947 10.1016/j.bmcl.2011.07.011 SK-N-SH 1
21802947 10.1016/j.bmcl.2011.07.011 NON-PROTEIN TARGET 1
21802947 10.1016/j.bmcl.2011.07.011 NHDF 1
21802947 10.1016/j.bmcl.2011.07.011 HUVEC 1

Data from ChEMBL 36 via Core Engine