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Compound Detail

CHEMBL591770

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N[C@@H](Cc1c(C(=O)O)noc1CCc1cccc2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL591770
Phase Preclinical
Structure Type MOL
InChI Key WUZQANMQCPOBRP-HNNXBMFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.27
ALogP
5
HBA
3
HBD
126.7
PSA (Ų)
0.59
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 C19H18N2O5
MW 354.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.15

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19932968 10.1016/j.bmc.2009.11.001 Cystine/glutamate transporter 3

Data from ChEMBL 36 via Core Engine