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Compound Detail

CHEMBL431470

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431470
Phase Preclinical
Structure Type MOL
InChI Key INTHZPIXJSURQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.3
MW (Da)
4.37
ALogP
6
HBA
0
HBD
76.3
PSA (Ų)
0.44
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 C22H17BrN6O
MW 461.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 1.4 nM 8.85 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