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Compound Detail

CHEMBL5200858

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COc1ccc(S(=O)(=O)Nc2ccc(CN3CCN(C(=O)Cn4cccnc4=O)CC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200858
Phase Preclinical
Structure Type MOL
InChI Key QZGBLFDBIBJUBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
1.40
ALogP
8
HBA
1
HBD
113.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O5S
MW 497.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.93

Pharmacokinetic Data

Parameter Value Units Species
CL 0.5 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