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Compound Detail

CHEMBL3962640

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COc1ccc(-c2cc3c(N[C@@H](C)CO)ncnc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3962640
Phase Preclinical
Structure Type MOL
InChI Key JXKIDBBJFFFWGQ-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.69
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O3
MW 299.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
27235841 10.1016/j.ejmech.2016.04.054 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine