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Compound Detail

CHEMBL4447201

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COc1cc2c(Nc3ccc(NC(=O)CC4Cc5ccccc5C4)cc3F)ncnc2cc1OCC1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447201
Phase Preclinical
Structure Type MOL
InChI Key QTOUSLCQIXCNCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

569.7
MW (Da)
5.99
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.26
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 C33H36FN5O3
MW 569.68
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.27

Literature References

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

Data from ChEMBL 36 via Core Engine