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

CHEMBL369906

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
CCc1[nH]c2nc(N)nc(O)c2c1Sc1cccc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369906
Phase Preclinical
Structure Type MOL
InChI Key ABTVQMVQTZZAIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.97
ALogP
6
HBA
3
HBD
97.0
PSA (Ų)
0.68
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 C15H16N4O2S
MW 316.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
16451071 10.1021/jm058276a Thymidylate synthase 2
16451071 10.1021/jm058276a Dihydrofolate reductase 1
16451071 10.1021/jm058276a Unchecked 1

Data from ChEMBL 36 via Core Engine