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Compound Detail

CHEMBL5284048

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CCOC(=O)/C(=C\N(C)C)C1C(=O)NC(=S)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284048
Phase Preclinical
Structure Type MOL
InChI Key DNVHQQZBTGJIGO-WAYWQWQTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-0.86
ALogP
6
HBA
2
HBD
87.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3O4S
MW 285.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.87 4.87 13610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13610.0 nM 4.87 Inhibition of urease (unknown origin) incubated for 30 mins by microplate reader... 32992246

Literature References

PubMed DOI Target Context # Activities
32992246 10.1016/j.bmc.2020.115759 Klebsiella pneumoniae 2
32992246 10.1016/j.bmc.2020.115759 Unchecked 1
32992246 10.1016/j.bmc.2020.115759 Proteus mirabilis 1

Data from ChEMBL 36 via Core Engine