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

CHEMBL441958

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
Nc1nc(O)c2c(n1)CCC(CNc1ccc(C(=O)O)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441958
Phase Preclinical
Structure Type MOL
InChI Key ZVTWLWNPZSQSIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.68
ALogP
6
HBA
4
HBD
121.4
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 C16H18N4O3
MW 314.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
3599032 10.1021/jm00390a025 Enterococcus faecium 2
3599032 10.1021/jm00390a025 Lacticaseibacillus casei 2
3599032 10.1021/jm00390a025 Dihydrofolate reductase 1
3599032 10.1021/jm00390a025 Thymidylate synthase 1

Data from ChEMBL 36 via Core Engine