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Compound Detail

CHEMBL313235

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COc1ccc2ncc(-c3ccncc3)c(C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313235
Phase Preclinical
Structure Type MOL
InChI Key TVSJBGWRKQNXBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.61
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.70
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 C16H14N2O
MW 250.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.63

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