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Compound Detail

CHEMBL461733

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O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461733
Phase Preclinical
Structure Type MOL
InChI Key PXAZVNPXBLQDLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.2
MW (Da)
5.82
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Cl2NO2
MW 372.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
18715785 10.1016/j.bmc.2008.07.024 Unchecked 3
18715785 10.1016/j.bmc.2008.07.024 ADMET 1

Data from ChEMBL 36 via Core Engine