Compound Detail
CHEMBL90977
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Basic Information
| ChEMBL ID | CHEMBL90977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DISSGPVGANAWAA-ZUWFHJRGSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.20
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 35.0 | nM | 7.46 | Affinity was evaluated by inhibition of [3H]GR-65630 binding to NG108-15 cell tr... | 8064797 |
| D(1A) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Affinity was evaluated as inhibition constant for dopamine receptor D1 using [3H... | 8064797 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 98.0 | nM | 7.01 | Affinity was evaluated by inhibition of [125I]LSD binding to NIH 3T3 cells trans... | 8064797 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 110.0 | nM | 6.96 | Affinity was evaluated by inhibition of [125I]LSD binding to NIH 3T3 cells trans... | 8064797 |
| D(4) dopamine receptor | Ki | = | 300.0 | nM | 6.52 | Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells tran... | 8064797 |
| D(2) dopamine receptor | Ki | = | 730.0 | nM | 6.14 | Affinity was evaluated by inhibition of [3H]spiperone binding to COS cells trans... | 8064797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064797 | 10.1021/jm00043a008 | Unchecked | 2 |
| 8064797 | 10.1021/jm00043a008 | D(1A) dopamine receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | D(2) dopamine receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | D(4) dopamine receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | 5-hydroxytryptamine receptor 2A | 1 |
| 8064797 | 10.1021/jm00043a008 | 5-hydroxytryptamine receptor 2C | 1 |
| 8064797 | 10.1021/jm00043a008 | Serotonin 3 (5-HT3) receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine