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Compound Detail

CHEMBL5818443

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COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc([C@H](C)Cc3cnc(C)nc3)cc2n1

Basic Information

ChEMBL ID CHEMBL5818443
Phase Preclinical
Structure Type MOL
InChI Key KNOJZZCRWJYAID-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
5.28
ALogP
6
HBA
0
HBD
74.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24FN3O3
MW 445.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine