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Compound Detail

CHEMBL4746405

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CNC(=O)CN(Cc1c(F)cccc1OC(F)F)C(=O)c1c[nH]c(C(=O)N2CCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746405
Phase Preclinical
Structure Type MOL
InChI Key WWZIIPIDVNHENA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
1.77
ALogP
5
HBA
2
HBD
107.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N5O4
MW 453.42
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
33859795 10.1021/acsmedchemlett.0c00547 TAK1/TAB1 1

Data from ChEMBL 36 via Core Engine