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Compound Detail

CHEMBL2179634

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O=C(O)c1ccc(Cl)c(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c1

Basic Information

ChEMBL ID CHEMBL2179634
Phase Preclinical
Structure Type MOL
InChI Key WLNNHBHTIDYGLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

461.9
MW (Da)
6.18
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24ClNO4
MW 461.95
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.48

Activity Summary

EC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
EC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23009245 10.1021/jm3005306 Metabotropic glutamate receptor 2 2
23009245 10.1021/jm3005306 Liver microsomes 1
23009245 10.1021/jm3005306 Plasma 1
23009245 10.1021/jm3005306 ADMET 1

Data from ChEMBL 36 via Core Engine