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

CHEMBL403716

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
O=[N+]([O-])c1ccc(C2=NC[C@H](CN3CCCC3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403716
Phase Preclinical
Structure Type MOL
InChI Key BDXYIHYRGQQGSU-CYBMUJFWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.84
ALogP
5
HBA
0
HBD
68.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O3
MW 275.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21958292 10.1021/jm2010404 HCT-116 2
18345608 10.1021/jm7015705 DNA (cytosine-5)-methyltransferase 1 1
18345608 10.1021/jm7015705 HL-60 1
25406944 10.1021/jm500843d DNA (cytosine-5)-methyltransferase 1 1

Data from ChEMBL 36 via Core Engine