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Compound Detail

CHEMBL1782079

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COc1ccccc1-c1[nH]c(Cl)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782079
Phase Preclinical
Structure Type MOL
InChI Key OGECRGGAYWTHLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.6
MW (Da)
4.65
ALogP
1
HBA
1
HBD
25.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8Cl3NO
MW 276.55
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
21534527 10.1021/jm200259f Unchecked 1

Data from ChEMBL 36 via Core Engine