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Compound Detail

CHEMBL330946

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Nc1ccc2c(NCc3ccccc3)ncnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330946
Phase Preclinical
Structure Type MOL
InChI Key YALFOGLJKIYCIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.82
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4
MW 250.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.15

Literature References

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

Data from ChEMBL 36 via Core Engine