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Compound Detail

CHEMBL4585477

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COc1cc2ncnc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3F)c2cc1OCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585477
Phase Preclinical
Structure Type MOL
InChI Key NCELHWDICIYHSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

648.7
MW (Da)
5.53
ALogP
9
HBA
2
HBD
118.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H33FN6O5
MW 648.69
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.26

Literature References

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

Data from ChEMBL 36 via Core Engine