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

CHEMBL5207209

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
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNCC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207209
Phase Preclinical
Structure Type MOL
InChI Key RSZJXFKNJBHJCQ-UKKRHICBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
-2.64
ALogP
10
HBA
6
HBD
185.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23N5O6
MW 357.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA (cytosine-5)-methyltransferase 1
CHEMBL1993
 IC50 4.76 4.76 17200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA (cytosine-5)-methyltransferase 1 IC50 = 17200.0 nM 4.76 Inhibition of human recombinant full-length DNMT1 expressed in Sf9 cells assesse... 35324190

Literature References

PubMed DOI Target Context # Activities
35324190 10.1021/acs.jmedchem.1c01869 DNA (cytosine-5)-methyltransferase 1 1

Data from ChEMBL 36 via Core Engine