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Compound Detail

CHEMBL187172

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N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187172
Phase Preclinical
Structure Type MOL
InChI Key GANQPJNYJMIHST-KRWDZBQOSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.65
ALogP
4
HBA
1
HBD
69.4
PSA (Ų)
0.76
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 C19H21NO3
MW 311.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.10

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15341490 10.1021/jm040780c Solute carrier family 15 member 1 2

Data from ChEMBL 36 via Core Engine