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Compound Detail

CHEMBL5787492

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Cc1ccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)nc1

Basic Information

ChEMBL ID CHEMBL5787492
Phase Preclinical
Structure Type MOL
InChI Key BTEPRNNLWBMDPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.44
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N6
MW 326.36
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 12.0 nM 7.92 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine