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Compound Detail

CHEMBL116198

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1

Basic Information

ChEMBL ID CHEMBL116198
Phase Preclinical
Structure Type MOL
InChI Key HTGJLPLFDGFCBG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.3
MW (Da)
4.90
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15Cl2N5O
MW 436.30
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658438 10.1021/jm00018a011 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine