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Compound Detail

CHEMBL237658

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N[C@@H](Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237658
Phase Preclinical
Structure Type MOL
InChI Key PLIQWXNVJOPJOT-UXMRNZNESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.86
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.50
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 C25H27N2O4P
MW 450.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.04

Activity Summary

IC50 1 meas.

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