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Compound Detail

CHEMBL119470

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Cc1nc2cnccc2n1-c1ccc(I)cc1

Basic Information

ChEMBL ID CHEMBL119470
Phase Preclinical
Structure Type MOL
InChI Key KWYCBPXHYNREFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.1
MW (Da)
3.33
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10IN3
MW 335.15
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658438 10.1021/jm00018a011 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine