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Compound Detail

CHEMBL2057608

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CCOC[C@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2057608
Phase Preclinical
Structure Type MOL
InChI Key UZFHZWKLQQVCHG-GEVIPFJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.03
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.80
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 C11H14N2O3
MW 222.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
22435740 10.1021/jm2010964 Hydroxycarboxylic acid receptor 2 2
22435740 10.1021/jm2010964 Hydroxycarboxylic acid receptor 3 1

Data from ChEMBL 36 via Core Engine