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Compound Detail

CHEMBL6009480

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CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccc(Br)cc3)c2c1N

Basic Information

ChEMBL ID CHEMBL6009480
Phase Preclinical
Structure Type MOL
InChI Key OXAFQVHZGFYWIM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.5
MW (Da)
6.94
ALogP
5
HBA
1
HBD
62.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19BrN2OS3
MW 491.50
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
15-hydroxyprostaglandin dehydrogenase [NAD(+)]
CHEMBL1293255
IC50 8.54 8.54 2.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine