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Compound Detail

CHEMBL5957904

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CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Oc3cccc(N4CCNCC4)c3)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5957904
Phase Preclinical
Structure Type MOL
InChI Key IQPFUIXZKILPKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
2.85
ALogP
8
HBA
2
HBD
100.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O5S2
MW 494.64
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-glucuronidase
CHEMBL2728
 IC50 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-glucuronidase IC50 = 730.0 nM 6.14 β-Glucuronidase Activity Assay: The β-glucuronidase assay was performed by the a... -

Data from ChEMBL 36 via Core Engine