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Compound Detail

CHEMBL161389

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CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(ccc(Cl)c13)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL161389
Phase Preclinical
Structure Type MOL
InChI Key OTQUBNPRAGKZMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

472.0
MW (Da)
3.72
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN3O4S
MW 471.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.56

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