Compound Detail
CHEMBL163912
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Basic Information
| ChEMBL ID | CHEMBL163912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMRTTIHBZCVJG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.91
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.36
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.36 | 4.89 | 4400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of binding of [3H]spiroperidol to Dopamine receptor D2 in rat striata... | 11294383 |
| Cavia porcellus | EC50 | = | 4400.0 | nM | 5.36 | Effective concentration for increasing potency force in guinea pig isolated left... | 7277389 |
| Cavia porcellus | EC50 | = | 38000.0 | nM | 4.42 | Effective concentration for increasing potency rate in guinea pig isolated right... | 7277389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7277389 | 10.1021/jm00139a013 | Canis familiaris | 6 |
| 7277389 | 10.1021/jm00139a013 | Cavia porcellus | 4 |
| 29125 | 10.1021/jm00206a023 | Sodium-dependent dopamine transporter | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 7277389 | 10.1021/jm00139a013 | Unchecked | 1 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | D(2) dopamine receptor | 1 |
| 7097723 | 10.1021/jm00348a018 | Canis familiaris | 1 |
| 7097723 | 10.1021/jm00348a018 | No relevant target | 1 |
| 29125 | 10.1021/jm00206a023 | Sodium-dependent serotonin transporter | 1 |
| 29125 | 10.1021/jm00206a023 | Unchecked | 1 |
| 29125 | 10.1021/jm00206a023 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine