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Compound Detail

CHEMBL3421988

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COc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccn2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3421988
Phase Preclinical
Structure Type MOL
InChI Key LRLLTEDNOPLVSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.00
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O2
MW 335.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.76

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