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Compound Detail

CHEMBL111441

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Cc1onc(O)c1CCCCC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111441
Phase Preclinical
Structure Type MOL
InChI Key YRSCUAMRFSMJFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
0.81
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O4
MW 228.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 1 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 2 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine