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Compound Detail

CHEMBL391223

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COc1ccc2c(c1)c(CC(=O)N(OC(C)=O)C(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391223
Phase Preclinical
Structure Type MOL
InChI Key HLAFZWUYZNOMNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
3.70
ALogP
7
HBA
0
HBD
94.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN2O6
MW 456.88
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
17994684 10.1021/jm0611861 Prostaglandin G/H synthase 1 4
17994684 10.1021/jm0611861 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine