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Compound Detail

CHEMBL180488

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CC1(C)Cc2cc(OCc3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180488
Phase Preclinical
Structure Type MOL
InChI Key XIXNRVYHFCYTSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
4.52
ALogP
5
HBA
1
HBD
80.8
PSA (Ų)
0.69
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 C19H16Cl2N4O2
MW 403.27
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.30

Activity Summary

EC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 6.11 6.11 782.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 782.0 nM 6.11 Binding affinity against metabotropic glutamate receptor 2 15745798

Literature References

PubMed DOI Target Context # Activities
15745798 10.1016/j.bmcl.2005.01.077 Metabotropic glutamate receptor 2 1
15745798 10.1016/j.bmcl.2005.01.077 Cell line 1

Data from ChEMBL 36 via Core Engine