Compound Detail
CHEMBL275679
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[2H]c1c([2H])c([2H])c(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)c([2H])c1[2H]
Basic Information
| ChEMBL ID | CHEMBL275679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVOBQVYJGNPWPM-YQYLVRRTSA-N |
| Parent Compound | CHEMBL12339 |
| Active Moiety | CHEMBL12339 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.71
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.7 | 8.29 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 1.995 | nM | 8.7 | Dilator activity expressed as potency for relaxation of Aortic rings precontract... | 11855989 |
| Rattus norvegicus | EC50 | = | 13.18 | nM | 7.88 | Dilator activity expressed as potency for relaxation of Tracheal strips percontr... | 11855989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855989 | 10.1021/jm010999g | Rattus norvegicus | 5 |
| 11855989 | 10.1021/jm010999g | ATP-binding cassette sub-family C member 9 | 2 |
Data from ChEMBL 36 via Core Engine