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Compound Detail

CHEMBL5791705

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CS(=O)(=O)Nc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1

Basic Information

ChEMBL ID CHEMBL5791705
Phase Preclinical
Structure Type MOL
InChI Key VZBLEXSNCYGHSI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
2.50
ALogP
8
HBA
1
HBD
107.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7O2S
MW 405.44
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 33.0 nM 7.48 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine