Compound Detail
CHEMBL157912
(S)-BULBOCAPNINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL157912 |
| Name | (S)-BULBOCAPNINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LODGIKWNLDQZBM-LBPRGKRZSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.88
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.13 | 6.13 | 739.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.915 | 11600.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 4.85 | 4.85 | 14000.0 | 2 |
| PC-12 CHEMBL612556 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 739.0 | nM | 6.13 | In vitro binding affinity towards rat Dopamine receptor D1 by [3H]SCH-23390 disp... | 2405158 |
| D(1A) dopamine receptor | IC50 | = | 740.0 | nM | 6.13 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| Unchecked | IC50 | = | 11600.0 | nM | 4.94 | Inhibition of neuronal excitability in mouse Primary neocortical neuron assessed... | 37172474 |
| Unchecked | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of neuronal excitability in mouse Primary neocortical neuron assessed... | 37172474 |
| D(2) dopamine receptor | IC50 | = | 14047.0 | nM | 4.85 | In vitro binding affinity towards rat Dopamine receptor D2 by [3H]spiperone disp... | 2405158 |
| D(2) dopamine receptor | IC50 | = | 14000.0 | nM | 4.85 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| PC-12 | IC50 | = | 27000.0 | nM | 4.57 | Reduction of dopamine level in catecholamine-inducing rat PC12 cells | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9214740 | 10.1021/np9700735 | NON-PROTEIN TARGET | 4 |
| 2405158 | 10.1021/jm00164a022 | Rattus norvegicus | 2 |
| 37172474 | 10.1016/j.ejmech.2023.115414 | Unchecked | 2 |
| 2405158 | 10.1021/jm00164a022 | D(1A) dopamine receptor | 1 |
| 2405158 | 10.1021/jm00164a022 | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | PC-12 | 1 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine