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Compound Detail

CHEMBL6011945

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FC(F)(F)c1cccc(-c2nc(Nc3ccnc4cccnc34)c3cccn3n2)n1

Basic Information

ChEMBL ID CHEMBL6011945
Phase Preclinical
Structure Type MOL
InChI Key BKIMZLSUOAVQNQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
4.50
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12F3N7
MW 407.36
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 20.0 nM 7.7 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine