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Compound Detail

CHEMBL322428

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c1ccc(Nc2cnc3ccccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL322428
Phase Preclinical
Structure Type MOL
InChI Key KBXWFATYSJUYRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
3.37
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.72
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 C14H11N3
MW 221.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 5.29 5.29 5100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 5100.0 nM 5.29 Inhibition of Platelet-derived growth factor receptor 12941341

Literature References

PubMed DOI Target Context # Activities
12941341 10.1016/s0960-894x(03)00654-1 Platelet-derived growth factor receptor 1
21215643 10.1016/j.bmc.2010.11.059 Cannabinoid receptor 2 1
21215643 10.1016/j.bmc.2010.11.059 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine