Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL104083

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace

Basic Information

ChEMBL ID CHEMBL104083
Phase Preclinical
Structure Type MOL
InChI Key OPKOKAMJFNKNAS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

75.1
MW (Da)
-0.80
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H9NO
MW 75.11
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness 0.93

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
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

Data from ChEMBL 36 via Core Engine