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Compound Detail

CHEMBL568357

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O=C(O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

Basic Information

ChEMBL ID CHEMBL568357
Phase Preclinical
Structure Type MOL
InChI Key WAYZFSAJPAKLSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.90
ALogP
4
HBA
2
HBD
91.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N4O2
MW 342.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 27.0 nM 7.57 Inhibition of TGFR1 19640613

Literature References

PubMed DOI Target Context # Activities
19640613 10.1016/j.ejmech.2009.07.008 TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine