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Compound Detail

CHEMBL5744931

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c1cc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)nc(C2CC2)c1

Basic Information

ChEMBL ID CHEMBL5744931
Phase Preclinical
Structure Type MOL
InChI Key DLYGJFNPZNOGRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.01
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N6
MW 352.40
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 1.3 nM 8.89 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine