Compound Detail
CHEMBL554597
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Basic Information
| ChEMBL ID | CHEMBL554597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRMPUDJDEIKDBX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195449 |
| Active Moiety | CHEMBL1195449 |
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
1.53
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7199089 | 10.1021/jm00142a006 | Thromboxane-A synthase | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 3 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 4 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine