Compound Detail
CHEMBL2373017
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2373017 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DRNGOLHFSFKHPA-WOHZJSJJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
988.2
MW (Da)
-1.62
ALogP
14
HBA
12
HBD
357.6
PSA (Ų)
0.03
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Kd 1 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | Kd | 9.09 | 9.09 | 0.8 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | Kd | = | 0.8128 | nM | 9.09 | pA2 value for Angiotensin II receptor | 2362273 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.9 | nM | 9.05 | Concentration required to 50% inhibition in specific binding of [125- I]A-II to ... | 2362273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362273 | 10.1021/jm00169a019 | Oryctolagus cuniculus | 2 |
| 2362273 | 10.1021/jm00169a019 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 2362273 | 10.1021/jm00169a019 | Type-1 angiotensin II receptor A | 1 |
Data from ChEMBL 36 via Core Engine