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Compound Detail

CHEMBL107768

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Cc1onc(O)c1CCC(N)C(=O)O

Basic Information

ChEMBL ID CHEMBL107768
Phase Preclinical
Structure Type MOL
InChI Key NZDIZJGEDFARSV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.03
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O4
MW 200.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.10

Activity Summary

EC50 2 meas. best 4.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 4.09 4.09 82000.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
EC50 4.09 4.09 82000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 1 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 2 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 4 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 6 1
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 4 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine