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Compound Detail

CHEMBL4563177

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COc1cc2c(Nc3cc(NC(=O)Cc4ccccc4)ccc3F)ncnc2cc1OCC1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4563177
Phase Preclinical
Structure Type MOL
InChI Key RXBJWXMSUHWTLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
5.42
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32FN5O3
MW 529.62
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.44

Literature References

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

Data from ChEMBL 36 via Core Engine