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Compound Detail

CHEMBL5431761

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N#CCc1cnc(C2=CC3OCOC3C=C2)n1-c1ccnc(N[C@H]2CCCNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431761
Phase Preclinical
Structure Type MOL
InChI Key NUYGNIRJLNARPZ-ZLPCBKJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
1.59
ALogP
9
HBA
2
HBD
109.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N7O2
MW 405.46
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.27

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