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Compound Detail

CHEMBL4783097

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COc1cccc(Nc2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783097
Phase Preclinical
Structure Type MOL
InChI Key SONNHUKNZVDRPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
5.08
ALogP
7
HBA
2
HBD
89.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N4O3S
MW 416.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.47

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