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Compound Detail

CHEMBL555023

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CC[N+](CC)(CC)CCO.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555023
Phase Preclinical
Structure Type MOL
InChI Key KUQFDYRHDBNMSI-UHFFFAOYSA-M
Parent Compound CHEMBL318993
Active Moiety CHEMBL318993
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
0.86
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H20BrNO
MW 226.16
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.42

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12954069 10.1021/jm030829z Enterococcus faecalis 2
12954069 10.1021/jm030829z Staphylococcus aureus 2
12954069 10.1021/jm030829z Escherichia coli 2
12954069 10.1021/jm030829z Pseudomonas aeruginosa 2
15149650 10.1016/j.bmcl.2004.04.020 Sodium- and chloride-dependent creatine transporter 1 1

Data from ChEMBL 36 via Core Engine