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Compound Detail

CHEMBL1766446

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Cc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2CC(=O)Nc2cccc(C#N)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766446
Phase Preclinical
Structure Type MOL
InChI Key FOZLNQNDWJTLKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.98
ALogP
6
HBA
1
HBD
96.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N6O
MW 444.50
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
21435890 10.1016/j.bmc.2011.03.008 TGF-beta receptor type-1 2
21435890 10.1016/j.bmc.2011.03.008 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine