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Compound Detail

CHEMBL1209505

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CCOC(=O)CC[N+](C)(C)C.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1209505
Phase Preclinical
Structure Type MOL
InChI Key PZYIFVDFBFLTOC-UHFFFAOYSA-M
Parent Compound CHEMBL1229225
Active Moiety CHEMBL1229225
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
0.65
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H18ClNO2
MW 195.69
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.29

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20637607 10.1016/j.bmcl.2010.06.090 High affinity choline transporter 1 1

Data from ChEMBL 36 via Core Engine