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Compound Detail

CHEMBL220524

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

Basic Information

ChEMBL ID CHEMBL220524
Phase Preclinical
Structure Type MOL
InChI Key AKCMBQKAUPJZDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

384.2
MW (Da)
1.38
ALogP
6
HBA
1
HBD
123.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15Cl2N3O5S
MW 384.24
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.22

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