Compound Detail
CHEMBL272942
MECOPROP 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 | CHEMBL272942 |
| Name | MECOPROP |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNTGYJSOUMFZEP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
214.7
MW (Da)
2.50
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.03
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.03 | 7.03 | 93.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | EC50 | = | 93.0 | nM | 7.03 | Agonist activity at human cloned 5HT2B receptor expressed in HEK293-EBNA cells a... | 18035544 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 120.0 | nM | 6.92 | Agonist activity at human cloned 5HT2C receptor expressed in CHO cells assessed ... | 18035544 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at human cloned 5HT2A receptor expressed in CHO cells assessed ... | 18035544 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Antagonist activity at human T1R2/T1R3 receptor expressed in HEK293E cells asses... | 19817384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2006.04.025 | Prosopis farcta | 8 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | 5-hydroxytryptamine receptor 2C | 2 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | 5-hydroxytryptamine receptor 2A | 2 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | 5-hydroxytryptamine receptor 2B | 2 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | Rattus norvegicus | 2 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 18035544 | 10.1016/j.bmc.2007.10.100 | Unchecked | 1 |
| 19817384 | 10.1021/jm900823s | Unchecked | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine