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Compound Detail

CHEMBL2206194

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C[C@H](N)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)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 CHEMBL2206194
Phase Preclinical
Structure Type MOL
InChI Key BOIAUNVCOPGNOT-STOTURBNSA-N
Parent Compound CHEMBL2220350
Active Moiety CHEMBL2220350
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
-5.88
ALogP
14
HBA
10
HBD
262.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H40N4O14S
MW 580.61
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.36

Activity Summary

IC50 3 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.96 5.96 1100.0 1
Ribosome
CHEMBL613299
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of ribosome S30 subunit-mediated protein synthesis in Escherichia col... 23148581
Ribosome IC50 = 1500.0 nM 5.82 Inhibition of ribosome-mediated protein synthesis in rabbit reticulocytes after ... 23148581

Literature References

PubMed DOI Target Context # Activities
23148581 10.1021/jm3012992 Ribosome 7
23148581 10.1021/jm3012992 Unchecked 2
23148581 10.1021/jm3012992 80S Ribosome 1
23148581 10.1021/jm3012992 Escherichia coli 1
23148581 10.1021/jm3012992 HEK293 1

Data from ChEMBL 36 via Core Engine