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Compound Detail

CHEMBL2057613

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O=C(O)c1n[nH]c2c1C[C@H]1[C@H](Cc3ccccc3)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2057613
Phase Preclinical
Structure Type MOL
InChI Key OTMHRRBDBDERSZ-JBLDHEPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.24
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O2
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.34

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