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

CHEMBL596673

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
Cc1c(Sc2ccc3ccccc3c2)oc2nc(N)nc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596673
Phase Preclinical
Structure Type MOL
InChI Key IIQMDNNJGHZXKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.00
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.58
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 C17H14N4OS
MW 322.39
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
20056546 10.1016/j.bmc.2009.11.029 Dihydrofolate reductase 4
20056546 10.1016/j.bmc.2009.11.029 Unchecked 3
20056546 10.1016/j.bmc.2009.11.029 Thymidylate synthase 1
20056546 10.1016/j.bmc.2009.11.029 Bifunctional dihydrofolate reductase-thymidylate synthase 1

Data from ChEMBL 36 via Core Engine