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Compound Detail

CHEMBL218685

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N#Cc1cccc(NC2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218685
Phase Preclinical
Structure Type MOL
InChI Key XIHWAWBICWAQHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
3.30
ALogP
2
HBA
1
HBD
35.8
PSA (Ų)
0.79
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 C13H16N2
MW 200.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
17256925 10.1021/jm0613525 Cathepsin K 1

Data from ChEMBL 36 via Core Engine