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Compound Detail

CHEMBL1766448

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COc1ccnc2ccc(-c3cnn(CC(=O)Nc4cccc(C#N)c4)c3-c3cccc(C)n3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766448
Phase Preclinical
Structure Type MOL
InChI Key BPGJDZZHZAKPNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
4.99
ALogP
7
HBA
1
HBD
105.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22N6O2
MW 474.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.72

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