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Compound Detail

CHEMBL77862

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CC1Nc2ccc(Cl)cc2S(=O)(=O)N1

Basic Information

ChEMBL ID CHEMBL77862
Phase Preclinical
Structure Type MOL
InChI Key VZRNTCHTJRLTMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

232.7
MW (Da)
1.39
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9ClN2O2S
MW 232.69
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
17552506 10.1021/jm070120i Unchecked 4
18980844 10.1016/j.bmc.2008.10.036 Unchecked 3
25126714 10.1016/j.bmc.2014.07.017 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
12036344 10.1021/jm025510d Rattus norvegicus 1
19162477 10.1016/j.bmcl.2008.12.094 Unchecked 1
20163115 10.1021/jm901905j Unchecked 1
- 10.1039/C6MD00440G Unchecked 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine