Compound Detail
CHEMBL431095
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Basic Information
| ChEMBL ID | CHEMBL431095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLSSZJJVQVSQHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.27
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.02 | 9.02 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 69.0 | % | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.96 | nM | 9.02 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D4 stably... | 10411491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411491 | 10.1021/jm991029k | D(2) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(3) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(4) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | Unchecked | 1 |
| 11170639 | 10.1021/jm0002432 | ADMET | 1 |
| 11170639 | 10.1021/jm0002432 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine