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Compound Detail

CHEMBL1210960

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O=C1c2cccc(Cl)c2/C(=C/c2ccccc2)c2cccc(Cl)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210960
Phase Preclinical
Structure Type MOL
InChI Key XZCJMHUAAXKRCW-FOWTUZBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
6.13
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H12Cl2O
MW 351.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
20537765 10.1016/j.ejmech.2010.04.032 K562 1
20537765 10.1016/j.ejmech.2010.04.032 Tubulin 1

Data from ChEMBL 36 via Core Engine