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Compound Detail

CHEMBL4778698

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O=c1ccc2ccc(Oc3nc(Nc4ccc(F)cc4)nc4ccsc34)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778698
Phase Preclinical
Structure Type MOL
InChI Key RVXWXVVUZOJQNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
5.21
ALogP
6
HBA
2
HBD
79.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13FN4O2S
MW 404.43
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
32402937 10.1016/j.ejmech.2020.112388 Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine