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Compound Detail

CHEMBL5624882

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Cc1nsc(-c2nnc3n2C2(CC2)CN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624882
Phase Preclinical
Structure Type MOL
InChI Key AUYCVABWRAIGFL-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.95
ALogP
7
HBA
0
HBD
76.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6OS
MW 384.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.37

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