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Compound Detail

CHEMBL441686

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CC1(NC2=NS(=O)(=O)c3cc(Cl)sc3N2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441686
Phase Preclinical
Structure Type MOL
InChI Key KSWXMXBXYDKVIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.8
MW (Da)
2.01
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10ClN3O2S2
MW 291.79
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
16821773 10.1021/jm060042j Beta-TC6 2
16821773 10.1021/jm060042j Rattus norvegicus 1
16821773 10.1021/jm060042j Beta-TC3 1

Data from ChEMBL 36 via Core Engine