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Compound Detail

CHEMBL6058970

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O=C1CCCN1CCCNS(=O)(=O)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6058970
Phase Preclinical
Structure Type MOL
InChI Key SFSKJTRDGVSXLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.1
MW (Da)
2.89
ALogP
7
HBA
2
HBD
91.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27ClN4O4S2
MW 499.06
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.61

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