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Compound Detail

CHEMBL2206190

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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](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O.O=S(=O)(O)O

Basic Information

ChEMBL ID CHEMBL2206190
Phase Preclinical
Structure Type MOL
InChI Key UVKUJLZIPCVMOF-YZFAXGNFSA-N
Parent Compound CHEMBL2220023
Active Moiety CHEMBL2220023
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
-6.26
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 C18H38N4O14S
MW 566.58
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.66

Activity Summary

IC50 5 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosome
CHEMBL613299
IC50 5.71 5.1033 1960.0 3
Unchecked
CHEMBL612545
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C0MD00195C Ribosome 8
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