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

CHEMBL2170972

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
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2cccs2)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170972
Phase Preclinical
Structure Type MOL
InChI Key SWJIQXDGEABTKW-SDBHATRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
-0.12
ALogP
10
HBA
4
HBD
131.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N6O3S
MW 362.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
22924785 10.1021/jm300917h Histone-lysine N-methyltransferase, H3 lysine-79 specific 1

Data from ChEMBL 36 via Core Engine