Compound Detail
CHEMBL328480
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CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL328480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHQDLRAWURDTLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
644.8
MW (Da)
4.53
ALogP
11
HBA
2
HBD
153.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.36 | 7.36 | 44.0 | 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 | = | 0.2 | nM | 9.7 | In vitro binding affinity at Angiotensin II Type 1 receptor in rat liver membran... | - |
| Type-2 angiotensin II receptor | IC50 | = | 44.0 | nM | 7.36 | In vitro binding affinity at Angiotensin II Type 2 receptor in rabbit uterus mem... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00479-D | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/0960-894X(95)00479-D | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine