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Compound Detail

CHEMBL69644

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c1ccc(-c2cnc3cc4ccccc4cc3n2)cc1

Basic Information

ChEMBL ID CHEMBL69644
Phase Preclinical
Structure Type MOL
InChI Key NZFXNLXEQRQPJT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
4.45
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.47
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 C18H12N2
MW 256.31
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.05 6.05 900.0 1
Unchecked
CHEMBL612545
IC50 6.05 6.05 900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8667360 10.1021/jm950727b Platelet-derived growth factor receptor 1
15925511 10.1016/j.bmcl.2005.04.064 Unchecked 1

Data from ChEMBL 36 via Core Engine