Compound Detail
CHEMBL2372778
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CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)O)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL2372778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCXBRXOZZHQYHX-DIUSPMSXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
940.1
MW (Da)
-1.39
ALogP
13
HBA
11
HBD
362.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | Kd | 9.53 | 9.07 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 0.2951 | nM | 9.53 | Antagonistic effect against Angiotensin II receptor in rabbit aortic strip | 3656348 |
| Angiotensin II receptor | Kd | = | 2.432 | nM | 8.61 | Antagonistic effect against Angiotensin II receptor in zona glomerulosa | 3656348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3656348 | 10.1021/jm00393a006 | Rattus norvegicus | 5 |
| 3656348 | 10.1021/jm00393a006 | Angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine