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Compound Detail

CHEMBL343630

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Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)sc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343630
Phase Preclinical
Structure Type MOL
InChI Key SPNSHPCDWCPUOM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.03
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.74
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 C13H9F3N4S2
MW 342.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7490723 10.1021/jm00024a001 Dihydrofolate reductase 1

Data from ChEMBL 36 via Core Engine