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

CHEMBL351839

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
Cc1nc(O)c2c(Sc3ccccn3)cccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351839
Phase Preclinical
Structure Type MOL
InChI Key ITFGQMQTHVREMI-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
3.19
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3OS
MW 269.33
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.41

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
8459400 10.1021/jm00058a010 Thymidylate synthase 4
8459400 10.1021/jm00058a010 L1210 2
8459400 10.1021/jm00058a010 CCRF-CEM 1
8459400 10.1021/jm00058a010 GC3/MTK- 1
8459400 10.1021/jm00058a010 No relevant target 1

Data from ChEMBL 36 via Core Engine