Compound Detail
CHEMBL1255834
BW-723C86 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1255834 |
| Name | BW-723C86 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALFGDCNSEBJYSP-UHFFFAOYSA-N |
12
Targets
30
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
51.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 7.09
Ki 11 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.29 | 7.29 | 51.6 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.09 | 7.09 | 81.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.69 | 6.69 | 204.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.53 | 6.53 | 297.8 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.4 | 6.4 | 400.1 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.38 | 6.38 | 421.1 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.19 | 6.19 | 641.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.19 | 6.19 | 644.5 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 6.06 | 6.06 | 873.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 5.95 | 5.95 | 1127.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.53 | 1983.3 | 3 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.67 | 5.67 | 2133.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.4933 | 2173.9 | 3 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.59 | 5.59 | 2542.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.57 | 5.57 | 2684.6 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.56 | 5.56 | 2774.3 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.44 | 5.44 | 3595.7 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.44 | 5.44 | 3625.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.32 | 5.32 | 4785.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 4.9833 | 7943.3 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 207 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 6 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine