Compound Detail
CHEMBL154709
APOCIDEINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL154709 |
| Name | APOCIDEINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZUOQMBJJSBONO-CQSZACIVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2080.0 | nM | 5.68 | In vitro binding affinity towards rat Dopamine receptor D2 by [3H]spiperone disp... | 2405158 |
| Dopamine receptor | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4) | 7310821 |
| D(1A) dopamine receptor | IC50 | = | 13300.0 | nM | 4.88 | In vitro binding affinity towards rat Dopamine receptor D1 by [3H]SCH-23390 disp... | 2405158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2405158 | 10.1021/jm00164a022 | Rattus norvegicus | 2 |
| 7310821 | 10.1021/jm00144a014 | Dopamine receptor | 2 |
| 942751 | 10.1021/jm00223a006 | Rattus norvegicus | 2 |
| 2405158 | 10.1021/jm00164a022 | D(1A) dopamine receptor | 1 |
| 2405158 | 10.1021/jm00164a022 | D(2) dopamine receptor | 1 |
| 7310821 | 10.1021/jm00144a014 | Adenylate cyclase | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine