Compound Detail
CHEMBL449081
AGROCLAVINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL449081 |
| Name | AGROCLAVINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJOOMMHNYOJWCZ-UKRRQHHQSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.07
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
EC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.06 | 5.06 | 8672.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.95 | 4.95 | 11174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | IC50 | = | 140.0 | nM | 6.85 | Tested for its binding affinity towards 5-hydroxytryptamine 1 receptor in rat co... | 2456389 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 270.0 | nM | 6.57 | Binding affinity at 5-hydroxytryptamine 2 receptor from rat frontal cortex homog... | 2456389 |
| D(2) dopamine receptor | IC50 | = | 890.0 | nM | 6.05 | Competition in vitro with the dopamine receptor D2 antagonist [3H]spiperone, for... | 8096548 |
| Zinc finger protein mex-5 | EC50 | = | 8672.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 11174.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7190615 | 10.1021/jm00181a021 | Rattus norvegicus | 4 |
| 9871562 | 10.1016/s0960-894x(98)00072-9 | Tyrosine-protein kinase Lck | 1 |
| 9871562 | 10.1016/s0960-894x(98)00072-9 | Tyrosine-protein kinase SYK | 1 |
| 9871562 | 10.1016/s0960-894x(98)00072-9 | Tyrosine-protein kinase Blk | 1 |
| 8096548 | 10.1021/jm00059a017 | D(2) dopamine receptor | 1 |
| 12873507 | 10.1016/s0960-894x(03)00535-3 | NON-PROTEIN TARGET | 1 |
| 2456389 | 10.1021/jm00403a007 | Serotonin 1 (5-HT1) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Unchecked | 1 |
| - | 10.1021/np50009a003 | Unchecked | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine