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Compound Detail

CHEMBL5840028

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CCN(CCNS(=O)(=O)c1ccc(Oc2cccc(N3CCNCC3)c2)s1)c1cccc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5840028
Phase Preclinical
Structure Type MOL
InChI Key NOWBKSDJSUZCIL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
4.06
ALogP
7
HBA
2
HBD
73.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N4O3S2
MW 500.69
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-glucuronidase
CHEMBL2728
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-glucuronidase IC50 = 200.0 nM 6.7 β-Glucuronidase Activity Assay: The β-glucuronidase assay was performed by the a... -

Data from ChEMBL 36 via Core Engine