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Compound Detail

CHEMBL3217088

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Cl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)OCC(c2ccccc2)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL3217088
Phase Preclinical
Structure Type MOL
InChI Key VEFMKRAVEQDGNW-UHFFFAOYSA-N
Parent Compound CHEMBL1196008
Active Moiety CHEMBL1196008
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.23
ALogP
5
HBA
0
HBD
69.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28Cl2N4O2
MW 499.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.58 7.58 26.0 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