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Compound Detail

CHEMBL1203313

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Cl.N#CC(c1cccnc1)N1CCN(C(=O)CNCCCc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL1203313
Phase Preclinical
Structure Type MOL
InChI Key BZFFDMXNLQAXAU-UHFFFAOYSA-N
Parent Compound CHEMBL132835
Active Moiety CHEMBL132835
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
2.01
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.71
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 C22H28ClN5O
MW 413.95
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 6.28 6.28 530.0 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