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Compound Detail

CHEMBL10731

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C[N+]1(C)CCOC(O)(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10731
Phase Preclinical
Structure Type MOL
InChI Key BIGNZUAOMJYPRO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.94
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18NO2+
MW 208.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.88

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
6827521 10.1021/jm00355a021 Rattus norvegicus 1
15149650 10.1016/j.bmcl.2004.04.020 Sodium- and chloride-dependent creatine transporter 1 1

Data from ChEMBL 36 via Core Engine