Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5289990

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H](O)[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](C)N(CCO)CCO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289990
Phase Preclinical
Structure Type MOL
InChI Key FHMAIIDRXBFJIN-WQLBOCRTSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

570.6
MW (Da)
-6.55
ALogP
16
HBA
11
HBD
280.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H46N4O12
MW 570.64
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 0.97

Activity Summary

IC50 2 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA
CHEMBL2364041
 IC50 5.51 5.51 3100.0 1
Unchecked
CHEMBL612545
 IC50 4.33 4.33 47200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA IC50 = 3100.0 nM 5.51 Inhibition of prokaryotic circular pBESTluc plasmid DNA from Escherichia coli S3... 37312846
Unchecked IC50 = 47200.0 nM 4.33 Inhibition of eukaryotic luciferase T7 plasmid DNA (unknown origin) assessed as ... 37312846

Literature References

PubMed DOI Target Context # Activities
37312846 10.1021/acsmedchemlett.3c00089 Unchecked 2
37312846 10.1021/acsmedchemlett.3c00089 Escherichia coli 1
37312846 10.1021/acsmedchemlett.3c00089 Bacillus subtilis 1
37312846 10.1021/acsmedchemlett.3c00089 DNA 1
37312846 10.1021/acsmedchemlett.3c00089 Premature termination codon 1

Data from ChEMBL 36 via Core Engine