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Compound Detail

CHEMBL3422003

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Cc1cccnc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422003
Phase Preclinical
Structure Type MOL
InChI Key WYPPHWNOKDZWJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.44
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN5O
MW 337.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
25738882 10.1021/jm5017413 Neuromedin-K receptor 2
25738882 10.1021/jm5017413 No relevant target 1

Data from ChEMBL 36 via Core Engine