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Compound Detail

CHEMBL5754524

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Cc1cccc(-c2nc(Nc3ccnc4ccc(C(F)(F)F)cc34)c3cccn3n2)n1

Basic Information

ChEMBL ID CHEMBL5754524
Phase Preclinical
Structure Type MOL
InChI Key AARLQNGNXYMABQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
5.41
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F3N6
MW 420.40
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 940.0 nM 6.03 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine