Compound Detail
CHEMBL389718
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Basic Information
| ChEMBL ID | CHEMBL389718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTIASQFANBLTMM-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.77
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.42
EC50 1 meas. best 5.61
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.38 | 8.38 | 4.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Kd | 7.6 | 7.6 | 25.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 5.61 | 5.61 | 2460.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal ... | 15588097 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.14 | nM | 8.38 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 15588097 |
| 5-hydroxytryptamine receptor 7 | Kd | = | 25.12 | nM | 7.6 | Activity at SB-269970 desensitized 5HT7 receptor assessed as reduction of substa... | 15588097 |
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]spiroperidol from human recombinant Dopamine D2 long recepto... | 17649988 |
| 5-hydroxytryptamine receptor 7 | EC50 | = | 2460.0 | nM | 5.61 | Activity at 5HT7 receptor assessed as relaxation of substance P-induced contract... | 15588097 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 12200.0 | nM | 4.91 | Displacement of [3H]ketanserin from 5HT2A receptor in Wistar Han rat cortex memb... | 15588097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 7 | 4 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 2A | 1 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 1A | 1 |
| 17649988 | 10.1021/jm070487n | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine