Compound Detail
CHEMBL290829
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O=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1C(=O)N(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL290829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEQBCFCIEHXSDW-NDEPHWFRSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
5.97
ALogP
3
HBA
1
HBD
84.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 9.05 | 8.935 | 0.9 | 2 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 21.0 | % | Rattus norvegicus |
| T1/2 | 6.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 0.89 | nM | 9.05 | Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uteri... | - |
| Type-2 angiotensin II receptor | IC50 | = | 1.5 | nM | 8.82 | In vitro binding affinity of compound was measured against Angiotensin II recept... | - |
| Type-2 angiotensin II receptor | IC50 | = | 1.5 | nM | 8.82 | Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81007-6 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)81122-7 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81122-7 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80517-5 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80517-5 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81007-6 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81007-6 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine