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Compound Detail

CHEMBL363341

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N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363341
Phase Preclinical
Structure Type BOTH
InChI Key MIIGESVJEBDJMP-FHWLQOOXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
0.42
ALogP
6
HBA
6
HBD
179.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O7
MW 457.48
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.38

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15974593 10.1021/jm048982w Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine