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Compound Detail

CHEMBL3216197

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CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)(c1ccccc1)c1ccccc1.Cl.Cl

Basic Information

ChEMBL ID CHEMBL3216197
Phase Preclinical
Structure Type MOL
InChI Key CWDGLMGAKXDITE-UHFFFAOYSA-N
Parent Compound CHEMBL1192837
Active Moiety CHEMBL1192837
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.80
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.64
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 C26H28Cl2N4O
MW 483.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.72 8.72 1.9 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