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Compound Detail

CHEMBL346870

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Nc1ccc(-n2cnc3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL346870
Phase Preclinical
Structure Type MOL
InChI Key DWYMPMWWYZEKLQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

209.2
MW (Da)
2.61
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.63
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 C13H11N3
MW 209.25
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
IC50 5.7 5.7 2000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.25 5.25 5600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor beta 1
9876115 10.1021/jm9804681 Fibroblast growth factor receptor 1 1
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine