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Compound Detail

CHEMBL557174

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COc1ccc2c(c1)c(CCN)c(C)n2C(=O)c1ccc(Cl)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL557174
Phase Preclinical
Structure Type MOL
InChI Key RBALBKMSXIIHAM-UHFFFAOYSA-N
Parent Compound CHEMBL1196488
Active Moiety CHEMBL1196488
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
3.80
ALogP
4
HBA
1
HBD
57.2
PSA (Ų)
0.78
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 C19H20Cl2N2O2
MW 379.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.71

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