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Compound Detail

CHEMBL2206193

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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](CO)[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 CHEMBL2206193
Phase Preclinical
Structure Type MOL
InChI Key OINPREQBBHLFEH-FKXNWHPMSA-N
Parent Compound CHEMBL2220349
Active Moiety CHEMBL2220349
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

569.6
MW (Da)
-7.40
ALogP
16
HBA
12
HBD
311.7
PSA (Ų)
0.12
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 C22H45N5O16S
MW 667.69
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 1.69

Activity Summary

IC50 5 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.1 6.1 800.0 1
Ribosome
CHEMBL613299
 IC50 6.09 5.59 811.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 800.0 nM 6.1 Inhibition of ribosome S30 subunit-mediated protein synthesis in Escherichia col... 23148581
Ribosome IC50 = 811.0 nM 6.09 Inhibition of ribosome-mediated translation in prokaryotic system -
Ribosome IC50 = 4600.0 nM 5.34 Inhibition of ribosome-mediated protein synthesis in rabbit reticulocytes after ... 23148581
Ribosome IC50 = 4600.0 nM 5.34 Inhibition of ribosome-mediated translation in eukaryotic system -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C0MD00195C Ribosome 6
- 10.1039/C0MD00195C 80S Ribosome 4
23148581 10.1021/jm3012992 Unchecked 2
23148581 10.1021/jm3012992 80S Ribosome 1
23148581 10.1021/jm3012992 Ribosome 1
23148581 10.1021/jm3012992 Escherichia coli 1
23148581 10.1021/jm3012992 HEK293 1
- 10.1039/C0MD00195C HEK293 1
- 10.1039/C0MD00195C HFF 1
- 10.1039/C0MD00195C Escherichia coli 1
- 10.1039/C0MD00195C Bacillus spizizenii 1

Data from ChEMBL 36 via Core Engine