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Compound Detail

CHEMBL3215746

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COc1cc(CCC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC.Cl.Cl

Basic Information

ChEMBL ID CHEMBL3215746
Phase Preclinical
Structure Type MOL
InChI Key OZYYBMCSKNUNBY-UHFFFAOYSA-N
Parent Compound CHEMBL1195221
Active Moiety CHEMBL1195221
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.45
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.64
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 C23H30Cl2N4O4
MW 497.42
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 6.4 6.4 400.0 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