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Compound Detail

CHEMBL2442505

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Cc1c(C(=O)O)c(=O)oc2cc(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442505
Phase Preclinical
Structure Type MOL
InChI Key OVCRSNCXKKOFQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
1.51
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8O5
MW 220.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.54

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