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Compound Detail

CHEMBL119758

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Brc1cccc(Nc2nnnc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119758
Phase Preclinical
Structure Type MOL
InChI Key JHEUTLNGYTXKOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.1
MW (Da)
3.53
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.79
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 C13H9BrN4
MW 301.15
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
7658435 10.1021/jm00018a008 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine