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Compound Detail

CHEMBL352680

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COc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL352680
Phase Preclinical
Structure Type MOL
InChI Key BRFVUHVMOMNHPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.33
ALogP
5
HBA
0
HBD
33.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N4O
MW 466.63
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 600.0 nM 6.22 Test against PAF-induced aggregation of rabbit platelets in vitro 7861415

Literature References

PubMed DOI Target Context # Activities
7861415 10.1021/jm00004a013 Cavia porcellus 1
7861415 10.1021/jm00004a013 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine