Compound Detail
CHEMBL4777970
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CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4777970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISLPFBPCYWSSHO-LOWSNRHLSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1060.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.35
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | EC50 | 9.35 | 9.35 | 0.5 | 1 |
| Urotensin-2 receptor CHEMBL3764 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | EC50 | = | 0.45 | nM | 9.35 | Agonist activity at human U-IIR expressed in HEK293-A cells by Fluo4-AM dye base... | 27791374 |
| Urotensin-2 receptor | IC50 | = | 0.9 | nM | 9.05 | Displacement of [125I-Tyr9]-U-II from human U-IIR expressed in HEK293-A cells in... | 27791374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27791374 | 10.1021/acs.jmedchem.6b00164 | Urotensin-2 receptor | 3 |
| 27791374 | 10.1021/acs.jmedchem.6b00164 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine