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Compound Detail

CHEMBL2057612

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O=C(O)c1n[nH]c2c1C[C@H]1[C@H](c3ccccc3)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2057612
Phase Preclinical
Structure Type MOL
InChI Key HJVDLDUXOXOQJX-LSJOCFKGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.16
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O2
MW 240.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.03

Literature References

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

Data from ChEMBL 36 via Core Engine