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Compound Detail

CHEMBL125995

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COc1ccc(CNc2ncnc3cc(N)ncc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125995
Phase Preclinical
Structure Type MOL
InChI Key WANNBVICBHCQGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.23
ALogP
6
HBA
2
HBD
86.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
7562908 10.1021/jm00019a007 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine