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Compound Detail

CHEMBL391720

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N[C@@H](CC(=O)O)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391720
Phase Preclinical
Structure Type MOL
InChI Key NTSKOZMSQFZPKG-ZENAZSQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.09
ALogP
6
HBA
2
HBD
119.2
PSA (Ų)
0.63
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 C20H23N2O6P
MW 418.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
17958345 10.1021/jm701005a Dipeptidyl peptidase 8 1
17958345 10.1021/jm701005a Dipeptidyl peptidase 4 1
17958345 10.1021/jm701005a Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine