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Compound Detail

CHEMBL316203

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O=C1NCC(c2ccc(Br)cc2)N1S(=O)(=O)c1ccc2c(c1)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316203
Phase Preclinical
Structure Type MOL
InChI Key NHRALDPCKDFDEU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
3.39
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 C18H17BrN2O3S
MW 421.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.94

Activity Summary

IC50 1 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