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Compound Detail

CHEMBL134094

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N#CC(c1cccnc1)N1CCN(C(=O)CNc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL134094
Phase Preclinical
Structure Type MOL
InChI Key LGHJIWYJJJEPSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
1.90
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N5O
MW 335.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine