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Compound Detail

CHEMBL56901

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CS(=O)(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56901
Phase Preclinical
Structure Type MOL
InChI Key XAFLJEHXFSAZAZ-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
5.58
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN2O2S
MW 408.91
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
15055990 10.1021/jm030540h Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine