Compound Detail
CHEMBL71920
U-92,016-A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL71920 |
| Name | U-92,016-A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDDZPZKGLZNGEH-MRXNPFEDSA-N |
4
Targets
4
Activities
1
Assay Types
15
PK Parameters
13
Publications
1
Known Names
Molecular Properties
295.4
MW (Da)
4.02
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.27 | 6.27 | 538.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1817.0 | pM kg-1 | - |
| AUC | 2857.0 | pM kg-1 | - |
| AUC | 1817.0 | pM ml-1 | Rattus norvegicus |
| AUC | 2857.0 | pM ml-1 | Rattus norvegicus |
| Cmax | 2566.0 | nM | - |
| Cmax | 1116.0 | nM | - |
| Cmax | 2566.0 | min | - |
| Cmax | 1116.0 | min | - |
| F | 63.0 | % | Rattus norvegicus |
| F | 63.0 | % | - |
| T1/2 | 1.5 | hr | - |
| Tmax | 0.06667 | hr | - |
| Tmax | 1.25 | hr | - |
| Tmax | 4.0 | hr | - |
| Tmax | 75.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hip... | 8101876 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.7 | nM | 8.77 | Displacement of the radioligand [3H]8-OH-DPAT from 5-hydroxytryptamine 1A recept... | 7932553 |
| D(2) dopamine receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 ... | 8101876 |
| D(2) dopamine receptor | Ki | = | 538.0 | nM | 6.27 | Displacement of the radioligand [3H]spiperone from D2 receptor | 7932553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932553 | 10.1021/jm00046a010 | Rattus norvegicus | 13 |
| 7932553 | 10.1021/jm00046a010 | ADMET | 8 |
| 7783152 | 10.1021/jm00012a021 | Rattus norvegicus | 8 |
| 7783152 | 10.1021/jm00012a021 | ADMET | 5 |
| 8101876 | 10.1021/jm00067a003 | Felis catus | 3 |
| 8101876 | 10.1021/jm00067a003 | Mus musculus | 2 |
| 8101876 | 10.1021/jm00067a003 | NON-PROTEIN TARGET | 2 |
| 8101876 | 10.1021/jm00067a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8101876 | 10.1021/jm00067a003 | D(2) dopamine receptor | 1 |
| 8101876 | 10.1021/jm00067a003 | Dopamine D2 receptor and serotonin 1a receptor | 1 |
| 7932553 | 10.1021/jm00046a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 7932553 | 10.1021/jm00046a010 | D(2) dopamine receptor | 1 |
| 7783152 | 10.1021/jm00012a021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine