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Compound Detail

CHEMBL512705

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N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512705
Phase Preclinical
Structure Type MOL
InChI Key JLUDRHIPKDDSJG-FQEVSTJZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.39
ALogP
4
HBA
2
HBD
84.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O3
MW 395.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.66

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 8 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 9 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 4 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine