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Compound Detail

CHEMBL106747

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O=C1/C(=C/c2ccc(Cl)cc2Cl)Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106747
Phase Preclinical
Structure Type MOL
InChI Key KYTRQFXGXXRFBX-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
4.82
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.69
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 C16H10Cl2O
MW 289.16
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
12086496 10.1021/jm010559p P388 1
12086496 10.1021/jm010559p L1210 1
12086496 10.1021/jm010559p NON-PROTEIN TARGET 1
12086496 10.1021/jm010559p CCRF-CEM 1

Data from ChEMBL 36 via Core Engine