Compound Detail
CHEMBL316392
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CCCCc1ncc2n1[C@H](c1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC[C@@H]2N1C(=O)CCC1=O
Basic Information
| ChEMBL ID | CHEMBL316392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVWHYHQINAQSOP-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
4.65
ALogP
7
HBA
1
HBD
109.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 15.0 | nM | 7.82 | Inhibition of [125-I]-labeled angiotensin II binding to AT1 receptor in rat uter... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80290-0 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)80290-0 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine