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Compound Detail

CHEMBL192604

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

Basic Information

ChEMBL ID CHEMBL192604
Phase Preclinical
Structure Type MOL
InChI Key QPRYSWVNTFKRJF-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.49
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 C15H27N3O2
MW 281.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness -0.16

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
 Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K Ki = 1500.0 nM 5.82 Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Ph... 15896958

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