Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL319732

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319732
Phase Preclinical
Structure Type MOL
InChI Key HOARSDISRSQYDP-LLQWRFHZSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.01
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO5
MW 437.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.53

Activity Summary

IC50 7 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 3
CHEMBL3067
 IC50 6.91 6.91 122.0 1
Metabotropic glutamate receptor 8
CHEMBL3228
 IC50 6.12 6.12 750.0 1
Metabotropic glutamate receptor 2
CHEMBL2851
 IC50 5.73 5.73 1870.0 1
Metabotropic glutamate receptor 7
CHEMBL3777
 IC50 5.2 5.2 6250.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
 IC50 4.9 4.9 12530.0 1
Metabotropic glutamate receptor 1
CHEMBL3772
 IC50 4.26 4.26 54900.0 1
Metabotropic glutamate receptor 5
CHEMBL3227
 IC50 4.25 4.25 56100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 3 IC50 = 122.0 nM 6.91 Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was eva... 9873635
Metabotropic glutamate receptor 8 IC50 = 750.0 nM 6.12 Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was eva... 9873635
Metabotropic glutamate receptor 2 IC50 = 1870.0 nM 5.73 Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was eva... 9873635
Metabotropic glutamate receptor 7 IC50 = 6250.0 nM 5.2 Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was eva... 9873635
Metabotropic glutamate receptor 4 IC50 = 12530.0 nM 4.9 Antagonistic activity against metabotropic glutamate receptor 4 (mGluR4) was eva... 9873635
Metabotropic glutamate receptor 1 IC50 = 54900.0 nM 4.26 Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was eva... 9873635
Metabotropic glutamate receptor 5 IC50 = 56100.0 nM 4.25 Antagonistic activity against metabotropic glutamate receptor 5 (mGluR5) was eva... 9873635

Literature References

PubMed DOI Target Context # Activities
9873635 10.1016/s0960-894x(98)00510-1 Rattus norvegicus 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 2 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 3 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 1 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 5 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 4 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 7 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine