Compound Detail
CHEMBL394381
8-CARBOXY-ISO-IANTHERAN A Enter ChEMBL ID:
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O=C(O)c1c(-c2ccc(O)c(Br)c2)oc2c(Br)cc(/C=C(OS(=O)(=O)[O-])/C(=C/c3cc(Br)c4oc(-c5ccc(O)c(Br)c5)cc4c3)OS(=O)(=O)[O-])cc12.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL394381 |
| Name | 8-CARBOXY-ISO-IANTHERAN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKIJWXPLHXBRNA-GJMBIJSZSA-L |
| Parent Compound | CHEMBL1207329 |
| Active Moiety | CHEMBL1207329 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1022.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 11 CHEMBL4867 | EC50 | 6.32 | 6.32 | 478.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 11 | EC50 | = | 478.63 | nM | 6.32 | Agonist activity at P2Y11 receptor expressed in 1321N1 cells assessed as cytosol... | 17941622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17941622 | 10.1021/jm070043r | P2Y purinoceptor 11 | 4 |
| 17941622 | 10.1021/jm070043r | ADMET | 3 |
| 17941622 | 10.1021/jm070043r | P2Y purinoceptor 1 | 2 |
| 17941622 | 10.1021/jm070043r | P2Y purinoceptor 2 | 2 |
Data from ChEMBL 36 via Core Engine