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Compound Detail

CHEMBL103995

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C=CCNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103995
Phase Preclinical
Structure Type MOL
InChI Key LJZTWFJYXBOVNF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.01
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O
MW 403.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 18.0 nM 7.75 Inhibition of PAF-induced platelet aggregation 8411016

Literature References

PubMed DOI Target Context # Activities
8411016 10.1021/jm00072a019 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine