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Compound Detail

CHEMBL150683

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CCc1cc(Cc2c(N)nc(N)nc2SC)cc(CC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150683
Phase Preclinical
Structure Type MOL
InChI Key PQAFZFXPGHGDNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.5
MW (Da)
3.09
ALogP
6
HBA
2
HBD
87.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N4OS
MW 332.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
6991695 10.1021/jm00179a012 Dihydrofolate reductase 2

Data from ChEMBL 36 via Core Engine