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Compound Detail

CHEMBL5970732

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Clc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1

Basic Information

ChEMBL ID CHEMBL5970732
Phase Preclinical
Structure Type MOL
InChI Key BKZCTAIDOAKCRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
3.78
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11ClN6
MW 346.78
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 4.7 nM 8.33 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine