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Compound Detail

CHEMBL223346

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CS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCl)CCCl)cc1C(=O)NCC(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223346
Phase Preclinical
Structure Type MOL
InChI Key OGFNKHBTGPZUKJ-UHFFFAOYSA-N
0
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

458.3
MW (Da)
0.37
ALogP
8
HBA
3
HBD
150.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21Cl2N3O7S
MW 458.32
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.97

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