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Compound Detail

CHEMBL5903731

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Cc1cccc(-c2nc(Nc3ccnc4ccc(Br)cc34)c3cccn3n2)n1

Basic Information

ChEMBL ID CHEMBL5903731
Phase Preclinical
Structure Type MOL
InChI Key YAZFJCZLFAHPTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.3
MW (Da)
5.15
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15BrN6
MW 431.30
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 280.0 nM 6.55 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine