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Compound Detail

CHEMBL1549362

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O=C(O)c1cc2ccccc2cc1Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1549362
Phase Preclinical
Structure Type MOL
InChI Key UFKXMTBPAONBSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
4.28
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.74
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 C17H13NO2
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.52

Activity Summary

Kd 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase
CHEMBL4523429
Kd 4.48 4.48 32900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27567076 10.1016/j.bmc.2016.08.019 Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase 2
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine