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Compound Detail

CHEMBL5796727

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Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2ccc(CN3CCC(F)(F)CC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5796727
Phase Preclinical
Structure Type MOL
InChI Key QPJBKWSBPBAGFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
5.24
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F5N7
MW 489.45
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 1.1 nM 8.96 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine