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Compound Detail

CHEMBL4578962

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COc1cc2c(Nc3cc(NC(=O)c4ccccc4)ccc3F)ncnc2cc1OCC1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4578962
Phase Preclinical
Structure Type MOL
InChI Key IYOLUOCHURLOIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
5.49
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30FN5O3
MW 515.59
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
31223440 10.1021/acsmedchemlett.8b00564 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine