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Compound Detail

CHEMBL1081274

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COc1nc(OC(C)=O)c(C(=O)c2ccc(Cl)cc2)c(OC(C)=O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081274
Phase Preclinical
Structure Type MOL
InChI Key HCSMBXKPHXZZFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
2.83
ALogP
8
HBA
0
HBD
101.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClNO7
MW 393.78
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
20137945 10.1016/j.bmcl.2010.01.066 Unchecked 2
20137945 10.1016/j.bmcl.2010.01.066 Parastagonospora nodorum 2

Data from ChEMBL 36 via Core Engine