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Compound Detail

CHEMBL5410924

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N#CCc1cnc(-c2ccc3c(c2)OCCO3)n1-c1ccnc(NC2CCOCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410924
Phase Preclinical
Structure Type MOL
InChI Key DXAYFEKMSRSNLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.76
ALogP
9
HBA
1
HBD
107.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N6O3
MW 418.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine