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Compound Detail

CHEMBL5630079

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Cc1nsc(-c2nnc3n2CCN(C(=O)C(C)(C)c2ccc(F)cc2)C3C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630079
Phase Preclinical
Structure Type MOL
InChI Key DYMVWTOAILKLQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.13
ALogP
7
HBA
0
HBD
76.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN6OS
MW 400.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
37247507 10.1016/j.ejmech.2023.115486 Neuromedin-K receptor 2

Data from ChEMBL 36 via Core Engine