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Compound Detail

CHEMBL3421992

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COc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3421992
Phase Preclinical
Structure Type MOL
InChI Key CSFFBUITUXKBLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.67
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5O2
MW 411.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.45

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