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Compound Detail

CHEMBL2442503

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CCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442503
Phase Preclinical
Structure Type MOL
InChI Key JSJRAXVQQYZLCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO4
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
24095010 10.1016/j.bmc.2013.09.010 SiHa 2
24095010 10.1016/j.bmc.2013.09.010 Monocarboxylate transporter 4 1

Data from ChEMBL 36 via Core Engine