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Compound Detail

CHEMBL5286456

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C[C@H](C(=O)NC1Cc2ccccc2C1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL5286456
Phase Preclinical
Structure Type MOL
InChI Key XCXHLWHDSRDTKM-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.21
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FNO
MW 283.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.03

Activity Summary

EC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3777
EC50 7.26 7.26 55.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 120.0 mL.min-1.g-1 Homo sapiens
CL 200.0 mL.min-1.g-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37077399 10.1021/acsmedchemlett.2c00529 Metabotropic glutamate receptor 7 2
37077399 10.1021/acsmedchemlett.2c00529 ADMET 2

Data from ChEMBL 36 via Core Engine