Compound Detail
CHEMBL194608
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Cc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F
Basic Information
| ChEMBL ID | CHEMBL194608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEMPHOJARYISJD-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
637.7
MW (Da)
5.55
ALogP
8
HBA
3
HBD
148.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 9.2 | 9.175 | 0.6 | 2 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.5 | nM | 9.3 | In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rat ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 0.63 | nM | 9.2 | In vivo inhibitory concentration against AT2 receptor of rat adrenal membrane | - |
| Type-2 angiotensin II receptor | IC50 | = | 0.7 | nM | 9.15 | In vivo inhibitory concentration against Angiotensin II, type 2 of rat midbrain ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 1.2 | nM | 8.92 | In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rabb... | - |
| Type-2 angiotensin II receptor | IC50 | = | 11.0 | nM | 7.96 | In vivo inhibitory concentration against AT2 receptor of human adrenal membrane | - |
| Type-1 angiotensin II receptor | IC50 | = | 15.0 | nM | 7.82 | In vivo inhibitory concentration against Angiotensin II receptor, type 1 of huma... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)85036-4 | Type-2 angiotensin II receptor | 3 |
| - | 10.1016/0960-894X(94)85036-4 | Type-1 angiotensin II receptor | 2 |
| - | 10.1016/0960-894X(94)85036-4 | Angiotensin II receptor | 2 |
| - | 10.1016/0960-894X(94)85036-4 | Unchecked | 1 |
| - | 10.1016/0960-894X(94)85036-4 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine