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

CHEMBL97488

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
Nc1nccc(-c2csc(COc3ccc(Cl)cc3)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97488
Phase Preclinical
Structure Type MOL
InChI Key OYTBVELMXRGSBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.8
MW (Da)
3.41
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.80
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 C14H11ClN4OS
MW 318.79
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
12825927 10.1021/jm030781p Bifunctional dihydrofolate reductase-thymidylate synthase 2
12825927 10.1021/jm030781p ADMET 1

Data from ChEMBL 36 via Core Engine