Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2057609

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)c1n[nH]c2c1C[C@H]1[C@@H](COc3ccccc3)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2057609
Phase Preclinical
Structure Type MOL
InChI Key AVUUOKAXFDRGKK-WCQGTBRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.07
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.89
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 C15H14N2O3
MW 270.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.01

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