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Compound Detail

CHEMBL2376184

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O=C1OC2(CCCCC2)c2ccn(CC(O)CN3CCOCC3)c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376184
Phase Preclinical
Structure Type MOL
InChI Key RHBGBHLSBXNGSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
0.87
ALogP
7
HBA
1
HBD
81.0
PSA (Ų)
0.80
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 C19H26N2O5
MW 362.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
23541650 10.1016/j.bmcl.2013.02.079 Unchecked 3
23541650 10.1016/j.bmcl.2013.02.079 Cathepsin B 1

Data from ChEMBL 36 via Core Engine