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Compound Detail

CHEMBL276310

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Basic Information

ChEMBL ID CHEMBL276310
Phase Preclinical
Structure Type MOL
InChI Key IVLICPVPXWEGCA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

127.2
MW (Da)
0.07
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13NO
MW 127.19
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.26

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
8487254 10.1021/jm00061a004 Cytochrome P450 2D6 1
15149650 10.1016/j.bmcl.2004.04.020 Sodium- and chloride-dependent creatine transporter 1 1
20637607 10.1016/j.bmcl.2010.06.090 High affinity choline transporter 1 1
30562698 10.1016/j.ejmech.2018.12.023 HEK293 1
30562698 10.1016/j.ejmech.2018.12.023 HeLa 1
30562698 10.1016/j.ejmech.2018.12.023 TERT-RPE1 1

Data from ChEMBL 36 via Core Engine