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Compound Detail

CHEMBL1209650

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CC1C(O)C2CC[N+]1(C)CC2.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1209650
Phase Preclinical
Structure Type MOL
InChI Key JOUSREBYLTZEHA-UHFFFAOYSA-M
Parent Compound CHEMBL1229234
Active Moiety CHEMBL1229234
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
0.61
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.51
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 C9H18ClNO
MW 191.70
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.74

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