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Compound Detail

CHEMBL1242480

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O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242480
Phase Preclinical
Structure Type MOL
InChI Key AMSQYUDLLDKJAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
4.53
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrN2O2S
MW 375.25
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
22059983 10.1021/jm201264t Hepatitis C virus 4
20047919 10.1128/aac.00614-09 Cryptosporidium parvum 2
20047919 10.1128/aac.00614-09 HCT-8 2
22059983 10.1021/jm201264t ADMET 2
22059983 10.1021/jm201264t Unchecked 1

Data from ChEMBL 36 via Core Engine