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Compound Detail

CHEMBL358332

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CC(=O)N1CCC(=C2c3ccc(O)cc3CCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL358332
Phase Preclinical
Structure Type MOL
InChI Key MBMVHFRBDDJNKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.33
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O2
MW 334.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 5.06 5.06 8700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1671420 10.1021/jm00105a069 Platelet-activating factor receptor 1
1671420 10.1021/jm00105a069 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine