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Compound Detail

CHEMBL1672764

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CCc1cc(=O)oc2nc(C#N)[nH]c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672764
Phase Preclinical
Structure Type MOL
InChI Key TVDGYVBQFFZDGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
0.31
ALogP
5
HBA
1
HBD
99.8
PSA (Ų)
0.74
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 C10H7N3O3
MW 217.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
24900295 10.1021/ml100251u Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine