Compound Detail
CHEMBL435323
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CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL435323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEBRFHAVFOSSOX-WSFLLCRESA-N |
6
Targets
10
Activities
3
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1040.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 7.03
EC50 3 meas. best 10.3
Ki 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 10.3 | 10.3 | 0.1 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Vasopressin V1b receptor CHEMBL1921 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 7.03 | 7.03 | 93.3 | 5 |
| Vasopressin V1a receptor CHEMBL2868 | Ki | 6.5 | 6.5 | 316.0 | 1 |
| Oxytocin receptor CHEMBL2049 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine