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Compound Detail

CHEMBL3216401

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Cl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL3216401
Phase Preclinical
Structure Type MOL
InChI Key FBYJESNYNLMZSB-UHFFFAOYSA-N
Parent Compound CHEMBL1193633
Active Moiety CHEMBL1193633
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
3.89
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.58
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 C27H30Cl2N4O
MW 497.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.96 7.96 11.0 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