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

CHEMBL142873

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
Cc1cn([C@H]2C[C@H](O)C(CCO)O2)c(=O)nc1NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142873
Phase Preclinical
Structure Type MOL
InChI Key XXMWDTKLPLVCMG-UBGVJBJISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
-0.62
ALogP
8
HBA
4
HBD
116.8
PSA (Ų)
0.54
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 C11H17N3O5
MW 271.27
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.96

Activity Summary

IC50 2 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L5178Y
CHEMBL614720
 IC50 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L5178Y IC50 = 56000.0 nM 4.25 In vitro growth inhibition of L5178Y-Parental murine leukemia cells 11101356

Literature References

PubMed DOI Target Context # Activities
11101356 10.1021/jm000975u L5178Y 2

Data from ChEMBL 36 via Core Engine