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Compound Detail

CHEMBL1761560

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c1ccc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761560
Phase Preclinical
Structure Type MOL
InChI Key OSPBYCRFIGNZMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
4.46
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.42
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 C26H23N7O
MW 449.52
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
21316221 10.1016/j.bmcl.2011.01.079 Mitogen-activated protein kinase 10 1
21316221 10.1016/j.bmcl.2011.01.079 Mitogen-activated protein kinase 8 1
21316221 10.1016/j.bmcl.2011.01.079 Transcription factor Jun 1
21316221 10.1016/j.bmcl.2011.01.079 Plasma 1
21316221 10.1016/j.bmcl.2011.01.079 Brain 1

Data from ChEMBL 36 via Core Engine