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Compound Detail

CHEMBL189248

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

Basic Information

ChEMBL ID CHEMBL189248
Phase Preclinical
Structure Type MOL
InChI Key POLLDZUMFDVNAQ-HNNXBMFYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.06
ALogP
4
HBA
1
HBD
69.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO3
MW 263.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.04

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