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Compound Detail

CHEMBL1241442

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Cc1nc(NC(=O)c2ccccc2O)sc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241442
Phase Preclinical
Structure Type MOL
InChI Key QLACOYDKZCFUTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.2
MW (Da)
3.17
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9BrN2O2S
MW 313.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
20047919 10.1128/aac.00614-09 Cryptosporidium parvum 2
20047919 10.1128/aac.00614-09 HCT-8 2
22059983 10.1021/jm201264t Hepatitis C virus 2
22059983 10.1021/jm201264t ADMET 1

Data from ChEMBL 36 via Core Engine