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Compound Detail

CHEMBL23278

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CC(CC1=Nc2c(O)nc(N)nc2NC1)Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL23278
Phase Preclinical
Structure Type MOL
InChI Key BLLHPJWVVWYMOU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
1.58
ALogP
9
HBA
6
HBD
200.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6O6
MW 470.49
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.01

Activity Summary

IC50 3 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Enterococcus faecium
CHEMBL357
IC50 7.4 7.4 40.0 1
Lacticaseibacillus casei
CHEMBL613075
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2498518 10.1021/jm00126a022 Enterococcus faecium 1
2498518 10.1021/jm00126a022 Lacticaseibacillus casei 1
2498518 10.1021/jm00126a022 Trifunctional purine biosynthetic protein adenosine-3 1

Data from ChEMBL 36 via Core Engine