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Compound Detail

CHEMBL319491

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N#Cc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL319491
Phase Preclinical
Structure Type MOL
InChI Key SATPTBATSJDWCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
6.15
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28F2N2O
MW 446.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

Kd 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1920352 10.1021/jm00114a009 Rattus norvegicus 2
1920352 10.1021/jm00114a009 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine