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Compound Detail

CHEMBL314811

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Oc1ccc2cc(-c3ccncc3)cnc2c1

Basic Information

ChEMBL ID CHEMBL314811
Phase Preclinical
Structure Type MOL
InChI Key NYQMESYHKIIFEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
3.00
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.69
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 C14H10N2O
MW 222.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 5.04 5.04 9200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8064792 10.1021/jm00043a002 Unchecked 2
8064792 10.1021/jm00043a002 Platelet-derived growth factor receptor 1
8064792 10.1021/jm00043a002 Epidermal growth factor receptor 1
8064792 10.1021/jm00043a002 Receptor tyrosine-protein kinase erbB-2 1
8064792 10.1021/jm00043a002 Tyrosine-protein kinase Lck 1
8064792 10.1021/jm00043a002 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine