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Compound Detail

CHEMBL4537833

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O=C(O)/C(O)=C/C(=O)c1ccc(NC(=O)c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4537833
Phase Preclinical
Structure Type MOL
InChI Key NLGPYTSUFMFGOU-FLIBITNWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
2.71
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO5S
MW 317.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1900.0 nM 5.72 Inhibition of HIV reverse transcriptase RNase H activity 31324562

Literature References

PubMed DOI Target Context # Activities
31324562 10.1016/j.bmc.2019.07.011 Unchecked 1

Data from ChEMBL 36 via Core Engine