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Compound Detail

CHEMBL1159782

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NCCC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O

Basic Information

ChEMBL ID CHEMBL1159782
Phase Preclinical
Structure Type MOL
InChI Key ZWMWMFQYDLHNHO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
-6.05
ALogP
14
HBA
10
HBD
268.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H39N5O9
MW 481.55
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.58

Activity Summary

Kd 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal RNA A-site
CHEMBL614640
Kd 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal RNA A-site Kd = 1700.0 nM 5.77 Binding affinity of aminoglycoside to 16S ribosomal RNA A-site in Escherichia co... 11206440

Literature References

PubMed DOI Target Context # Activities
11206440 10.1016/s0960-894x(00)00615-6 Ribosomal RNA A-site 1

Data from ChEMBL 36 via Core Engine