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Compound Detail

CHEMBL223404

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CS(=O)(=O)NC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL223404
Phase Preclinical
Structure Type MOL
InChI Key CEMKGKDFUFSNNT-UHFFFAOYSA-N
0
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

429.2
MW (Da)
1.48
ALogP
8
HBA
1
HBD
152.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14Cl2N4O7S
MW 429.24
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.10

Activity Summary

IC50 8 meas.

Literature References

PubMed DOI Target Context # Activities
17326614 10.1021/jm061062o V79 3
17326614 10.1021/jm061062o EMT6 3
17326614 10.1021/jm061062o WiDr 3
17326614 10.1021/jm061062o NON-PROTEIN TARGET 2
17326614 10.1021/jm061062o No relevant target 2
17326614 10.1021/jm061062o Unchecked 1

Data from ChEMBL 36 via Core Engine