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Compound Detail

CHEMBL103180

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Cc1ncccc1C(C#N)N1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL103180
Phase Preclinical
Structure Type MOL
InChI Key VFEIJUFNKDGEAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.91
ALogP
5
HBA
0
HBD
69.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O2
MW 440.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 42.0 nM 7.38 Inhibition of PAF-induced platelet aggregation 8411016

Literature References

PubMed DOI Target Context # Activities
8411016 10.1021/jm00072a019 Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine