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Compound Detail

CHEMBL4784264

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O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCS(=O)(=O)CC5)cc4)nc4ccsc34)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL4784264
Phase Preclinical
Structure Type MOL
InChI Key ZBFMWCUVOCTKCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
4.30
ALogP
9
HBA
2
HBD
117.3
PSA (Ų)
0.35
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 C25H21N5O4S2
MW 519.61
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.68

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