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Compound Detail

CHEMBL442224

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Cc1cc(C)c(-c2noc(C)c2-c2ccccc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442224
Phase Preclinical
Structure Type MOL
InChI Key XEMGPWMXEPSKFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
5.24
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO
MW 277.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
15369392 10.1021/jm040782x Prostaglandin G/H synthase 1 1
15369392 10.1021/jm040782x Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine