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Compound Detail

CHEMBL4533998

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COc1cc2nc(N)nc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3F)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4533998
Phase Preclinical
Structure Type MOL
InChI Key SIMDCBMINIZISR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

578.6
MW (Da)
5.45
ALogP
8
HBA
3
HBD
131.7
PSA (Ų)
0.22
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 C32H27FN6O4
MW 578.60
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
31223440 10.1021/acsmedchemlett.8b00564 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine