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Compound Detail

CHEMBL440895

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c1ccc(CCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440895
Phase Preclinical
Structure Type MOL
InChI Key QWUWMCYKGHVNAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

182.3
MW (Da)
3.47
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H14
MW 182.27
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2
17629592 10.1016/j.ejmech.2007.05.007 No relevant target 1
21514702 10.1016/j.ejmech.2011.03.057 Calmodulin-1 1
21514702 10.1016/j.ejmech.2011.03.057 Unchecked 1
24462176 10.1016/j.bmc.2014.01.008 Unchecked 1

Data from ChEMBL 36 via Core Engine