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

CHEMBL2171183

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
NCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171183
Phase Preclinical
Structure Type MOL
InChI Key MSHFOWYMHIZSJV-QYVSTXNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
-2.03
ALogP
10
HBA
5
HBD
157.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N7O3
MW 323.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
35849534 10.1021/acs.jmedchem.2c00388 tRNA (cytosine(38)-C(5))-methyltransferase 2
22924785 10.1021/jm300917h Histone-lysine N-methyltransferase, H3 lysine-79 specific 1

Data from ChEMBL 36 via Core Engine