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Compound Detail

CHEMBL2171482

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COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171482
Phase Preclinical
Structure Type MOL
InChI Key QIZGSCNMYCYQHS-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.34
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O4S
MW 425.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
23043370 10.1021/jm300612z Respiratory syncytial virus 2
23043370 10.1021/jm300612z Unchecked 1
23043370 10.1021/jm300612z HEp-2 1

Data from ChEMBL 36 via Core Engine