Compound Detail
CHEMBL98665
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CCCc1nc(CC)c(C(=O)CCN(C(=O)c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F
Basic Information
| ChEMBL ID | CHEMBL98665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADYRAXCAXZNNFK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
766.9
MW (Da)
8.63
ALogP
8
HBA
1
HBD
127.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 10.22 | 9.98 | 0.1 | 2 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 10.0 | 9.8 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 0.06 | nM | 10.22 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) re... | 7636854 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 1) re... | 7636854 |
| Type-2 angiotensin II receptor | IC50 | = | 0.18 | nM | 9.74 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) re... | 7636854 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.25 | nM | 9.6 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 1) re... | 7636854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636854 | 10.1021/jm00015a016 | Angiotensin II receptor (AT-1) type-1 | 2 |
| 7636854 | 10.1021/jm00015a016 | Type-2 angiotensin II receptor | 2 |
| 7636854 | 10.1021/jm00015a016 | Rattus norvegicus | 2 |
| 7636854 | 10.1021/jm00015a016 | Angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine