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Compound Detail

CHEMBL492848

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COc1ccc(CNc2nccc(-c3ncn(Cc4cccc(C#N)c4)c3-c3ccc(F)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492848
Phase Preclinical
Structure Type MOL
InChI Key ZJSXVYABUZSHMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
5.69
ALogP
7
HBA
1
HBD
88.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23FN6O
MW 490.54
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
18571921 10.1016/j.bmcl.2008.06.007 Mitogen-activated protein kinase 14 1
18571921 10.1016/j.bmcl.2008.06.007 TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine