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Compound Detail

CHEMBL278575

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CN1CC(C(=O)O)=CC(=C(c2ccccc2)c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL278575
Phase Preclinical
Structure Type MOL
InChI Key CFWWNRSQXUBWJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.44
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO2
MW 305.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.11

Activity Summary

Ki 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 4.89 4.89 12900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 12900.0 nM 4.89 Inhibition was measured for [3H]GABA-uptake from rat synaptosomal membrane. 3941406

Literature References

PubMed DOI Target Context # Activities
3941406 10.1021/jm00151a020 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine