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Compound Detail

CHEMBL72984

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CCc1ccc(Nc2ncnc3[nH]c4c(c23)CCCC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72984
Phase Preclinical
Structure Type MOL
InChI Key YHOGIJXDPLRSLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.14
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.76
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 C18H20N4
MW 292.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
8691423 10.1021/jm960118j Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine