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Compound Detail

CHEMBL5402659

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N#CCc1cnc(-c2ccc(F)c(C(F)(F)F)c2)n1-c1ccnc(N[C@H]2CCCNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402659
Phase Preclinical
Structure Type MOL
InChI Key BWSQKOKULIALEW-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
3.72
ALogP
7
HBA
2
HBD
91.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F4N7
MW 445.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.42

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