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

CHEMBL605228

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(C2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605228
Phase Preclinical
Structure Type MOL
InChI Key GNZKPHXVNFDTJW-NQYDYRPCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

731.4
MW (Da)
-2.10
ALogP
20
HBA
8
HBD
352.4
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N7O17P3
MW 731.40
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness 0.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2838631 10.1021/jm00402a008 NON-PROTEIN TARGET 2
2838631 10.1021/jm00402a008 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine