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Compound Detail

CHEMBL5410233

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CN(C)CCNC1=Nc2ccccc2Nc2ccccc21

Basic Information

ChEMBL ID CHEMBL5410233
Phase Preclinical
Structure Type MOL
InChI Key OLOFXFDIRZVSRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.97
ALogP
4
HBA
2
HBD
39.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4
MW 280.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.74

Activity Summary

EC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Salmonella typhimurium
CHEMBL351
EC50 4.82 4.82 15150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Salmonella typhimurium EC50 = 15150.0 nM 4.82 Antibacterial activity against Salmonella typhimurium ATCC14028 infected in mous... 38283231

Literature References

PubMed DOI Target Context # Activities
38283231 10.1039/d3md00418j Salmonella typhimurium 1
38283231 10.1039/d3md00418j RAW264.7 1
38283231 10.1039/d3md00418j ADMET 1

Data from ChEMBL 36 via Core Engine