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Compound Detail

CHEMBL2206184

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C[C@H](N)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@H]2O[C@H]2O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O.O=S(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2206184
Phase Preclinical
Structure Type MOL
InChI Key PUJIAXNDMYTVOO-OTJSCMFXSA-N
Parent Compound CHEMBL2220147
Active Moiety CHEMBL2220147
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

583.6
MW (Da)
-7.01
ALogP
16
HBA
12
HBD
311.7
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H47N5O16S
MW 681.71
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 1.41

Activity Summary

IC50 3 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosome
CHEMBL613299
 IC50 6.16 6.16 700.0 1
Unchecked
CHEMBL612545
 IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosome IC50 = 700.0 nM 6.16 Inhibition of ribosome-mediated protein synthesis in rabbit reticulocytes after ... 23148581
Unchecked IC50 = 1800.0 nM 5.75 Inhibition of ribosome S30 subunit-mediated protein synthesis in Escherichia col... 23148581

Literature References

PubMed DOI Target Context # Activities
23148581 10.1021/jm3012992 Ribosome 13
23148581 10.1021/jm3012992 80S Ribosome 5
23148581 10.1021/jm3012992 Unchecked 2
23148581 10.1021/jm3012992 Escherichia coli 1
23148581 10.1021/jm3012992 HEK293 1

Data from ChEMBL 36 via Core Engine