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Compound Detail

CHEMBL2376908

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COc1cc(NC(=O)c2cccc(-n3cc(Nc4nc5ccccc5[nH]4)cn3)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376908
Phase Preclinical
Structure Type MOL
InChI Key NKUPFLDSPIUZQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
4.77
ALogP
8
HBA
3
HBD
115.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N6O4
MW 484.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 8 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine