Compound Detail
CHEMBL60533
CORYNANRHEIDINE Enter ChEMBL ID:
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CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL60533 |
| Name | CORYNANRHEIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMLUOJBSAYAYEM-QALMDFCDSA-N |
8
Targets
9
Activities
2
Assay Types
11
PK Parameters
20
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.82
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.38
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.38 | 7.38 | 41.7 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.14 | 7.14 | 72.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.93 | 6.325 | 118.0 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.72 | 5.72 | 1910.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.59 | 5.59 | 2570.4 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.54 | 5.54 | 2884.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8.2 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 30.4 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 4.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 103.1 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 8.413 | nM | Rattus norvegicus |
| Cmax | 4.885 | nM | Rattus norvegicus |
| Fu | 0.4 | - | Homo sapiens |
| Fu | 0.02 | - | Homo sapiens |
| T1/2 | 0.1017 | hr | Homo sapiens |
| Tmax | 3.1 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine