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Compound Detail

CHEMBL568441

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O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568441
Phase Preclinical
Structure Type MOL
InChI Key FMYRVNZFACJNSS-BOOASOPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
3.45
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
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 C15H13Cl2NO3
MW 326.18
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
19640716 10.1016/j.bmcl.2009.07.072 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine