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Compound Detail

CHEMBL5184676

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CC#CC(=O)N1CCN(Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184676
Phase Preclinical
Structure Type MOL
InChI Key FJUNEOPUCOMNMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.46
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O3S
MW 411.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.47

Pharmacokinetic Data

Parameter Value Units Species
CL 50.0 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
35594652 10.1016/j.ejmech.2022.114421 Trypanosoma cruzi 1
35594652 10.1016/j.ejmech.2022.114421 ADMET 1
35594652 10.1016/j.ejmech.2022.114421 No relevant target 1

Data from ChEMBL 36 via Core Engine