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Compound Detail

CHEMBL4644545

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O=C(Nc1nc2ccc(Cl)cc2s1)c1c(O)c2ccccc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644545
Phase Preclinical
Structure Type MOL
InChI Key HWNGSJGOBFLEGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
3.75
ALogP
5
HBA
3
HBD
95.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10ClN3O3S
MW 371.81
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus pneumoniae
CHEMBL347
 IC50 4.88 4.88 13100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Streptococcus pneumoniae IC50 = 13100.0 nM 4.88 Antibacterial activity against Streptococcus pneumoniae ATCC 49617 32146051

Literature References

PubMed DOI Target Context # Activities
32146051 10.1016/j.bmcl.2020.127071 Streptococcus pneumoniae 3

Data from ChEMBL 36 via Core Engine