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Compound Detail

CHEMBL1209423

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C[N+](C)(C)CCCCO.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1209423
Phase Preclinical
Structure Type MOL
InChI Key VPGBSJICKBYUNH-UHFFFAOYSA-M
Parent Compound CHEMBL102289
Active Moiety CHEMBL102289
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

132.2
MW (Da)
0.47
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.44
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 C7H18ClNO
MW 167.68
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.32

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