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Compound Detail

CHEMBL119439

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119439
Phase Preclinical
Structure Type MOL
InChI Key QDXNWIMBMVVCAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.3
MW (Da)
5.90
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16Cl2N6
MW 459.34
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 1.7 nM 8.77 In vitro antagonist activity against platelet activating factor (PAF) receptor, ... 7658439

Literature References

PubMed DOI Target Context # Activities
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 2
7658439 10.1021/jm00018a012 Canis familiaris 1

Data from ChEMBL 36 via Core Engine