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Compound Detail

CHEMBL433967

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C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433967
Phase Preclinical
Structure Type MOL
InChI Key JBNKSVYCFPPWRT-HNNXBMFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.97
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O2
MW 315.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.32

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15896958 10.1016/j.bmcl.2005.04.032 Cathepsin K 1

Data from ChEMBL 36 via Core Engine