Compound Detail
CHEMBL1742477
FLESINOXAN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1742477 |
| Name | FLESINOXAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NYSDRDDQELAVKP-SFHVURJKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
2
Known Names
Molecular Properties
415.5
MW (Da)
1.51
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 3 meas. best 8.77
EC50 1 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.77 | 8.77 | 1.7 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.18 | 8.18 | 6.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.698 | nM | 8.77 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat fr... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.7 | nM | 8.77 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 6.607 | nM | 8.18 | Compound was tested for its potency against human 5-hydroxytryptamine 1A recepto... | 9873561 |
| D(2) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 9873561 | 10.1016/s0960-894x(98)00406-5 | 5-hydroxytryptamine receptor 1A | 4 |
| 11457654 | 10.1016/s0928-0987(01)00150-6 | ATP-dependent translocase ABCB1 | 2 |
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine