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Compound Detail

CHEMBL10204

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CCSc1ccnc(C[S+]([O-])c2nc3ccccc3n2COC(C)=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10204
Phase Preclinical
Structure Type MOL
InChI Key QVTOXGVMWHKHEO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.68
ALogP
7
HBA
0
HBD
80.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O3S2
MW 403.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1848293 10.1021/jm00107a026 Potassium-transporting ATPase 2
1848293 10.1021/jm00107a026 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine