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Compound Detail

CHEMBL3740824

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CN(CCN(C)C(=O)n1ccnc1)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740824
Phase Preclinical
Structure Type MOL
InChI Key ZRUQSPTVHFFFFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
2.75
ALogP
7
HBA
0
HBD
97.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O4S
MW 465.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00023H Tumor necrosis factor 3
32955874 10.1021/acs.jmedchem.0c01316 Tumor necrosis factor ligand superfamily member 11 2
32955874 10.1021/acs.jmedchem.0c01316 BMMC 1

Data from ChEMBL 36 via Core Engine