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Compound Detail

CHEMBL158281

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CSC1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)c3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158281
Phase Preclinical
Structure Type MOL
InChI Key XGYQKTIKFRTZAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
5.80
ALogP
6
HBA
2
HBD
69.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O3S2
MW 476.62
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
1542093 10.1021/jm00082a006 Thymidylate synthase 4
1542093 10.1021/jm00082a006 L1210 1
1542093 10.1021/jm00082a006 CCRF-CEM 1
1542093 10.1021/jm00082a006 GC3/MTK- 1

Data from ChEMBL 36 via Core Engine