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Compound Detail

CHEMBL3771155

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CCOc1ncccc1CC[C@](O)(CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771155
Phase Preclinical
Structure Type MOL
InChI Key YXPFSQPGKGPKJQ-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
0.70
ALogP
5
HBA
3
HBD
117.0
PSA (Ų)
0.64
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 C13H17NO6
MW 283.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
26734723 10.1021/acs.jmedchem.5b01752 Na(+)/citrate cotransporter 2

Data from ChEMBL 36 via Core Engine