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Compound Detail

CHEMBL8271

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O=C1NC(=O)c2cc(Sc3ccccc3)c(Sc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8271
Phase Preclinical
Structure Type MOL
InChI Key HEUOZLPVHVQHOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.87
ALogP
4
HBA
1
HBD
46.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13NO2S2
MW 363.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 1
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1

Data from ChEMBL 36 via Core Engine