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Compound Detail

CHEMBL5948114

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Cn1cnc2ccc(Nc3nc(-c4ccccn4)nn4cccc34)cc21

Basic Information

ChEMBL ID CHEMBL5948114
Phase Preclinical
Structure Type MOL
InChI Key VZTIQKAGQVINGR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.42
ALogP
7
HBA
1
HBD
72.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7
MW 341.38
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 240.0 nM 6.62 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine