Compound Detail
CHEMBL79261
DU 125530 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL79261 |
| Name | DU 125530 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LYXKFNHUJJDTIA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
492.0
MW (Da)
2.86
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 1a (5-HT1a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 1A | ✓ | ✓ |
Indications
Depressive Disorder
Activity Summary
Kd 2 meas. best 10.08
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Kd | 10.08 | 9.81 | 0.1 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Kd | = | 0.08318 | nM | 10.08 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in r... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Kd | = | 0.2884 | nM | 9.54 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in r... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.7079 | nM | 9.15 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat fr... | 9873561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873561 | 10.1016/s0960-894x(98)00406-5 | 5-hydroxytryptamine receptor 1A | 7 |
Data from ChEMBL 36 via Core Engine