Compound Detail
CHEMBL264208
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CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL264208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAIHIKUAZAISIV-ICEWOMRGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1149.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Vasopressin V1 receptor CHEMBL2095221 | Kd | 8.42 | 8.42 | 3.8 | 1 |
| Oxytocin receptor CHEMBL2049 | Kd | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Kd | = | 3.0 | nM | 8.52 | Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopres... | 10201826 |
| Vasopressin V1 receptor | Kd | = | 3.8 | nM | 8.42 | Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopress... | 10201826 |
| Oxytocin receptor | Kd | = | 6.0 | nM | 8.22 | Compound was evaluated for its dissociation constant (Kd) to guinea pig myometri... | 10201826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201826 | 10.1016/s0960-894x(99)00041-4 | Oxytocin receptor | 1 |
| 10201826 | 10.1016/s0960-894x(99)00041-4 | Vasopressin V1 receptor | 1 |
| 10201826 | 10.1016/s0960-894x(99)00041-4 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine