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Compound Detail

CHEMBL313358

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O=C1NC(c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313358
Phase Preclinical
Structure Type MOL
InChI Key ODXMEYPZMXTXEP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.7
MW (Da)
3.56
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12BrClN2O3S
MW 415.70
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.22

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00463-5 A549 1
- 10.1016/0960-894X(96)00463-5 SK-MEL-2 1

Data from ChEMBL 36 via Core Engine