Compound Detail
CHEMBL263185
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL263185 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LVFJZDFXJABCGT-ZEQGLLOKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1085.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.87
IC50 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | EC50 | 7.87 | 7.86 | 13.5 | 2 |
| Substance-P receptor CHEMBL4027 | IC50 | 7.49 | 7.49 | 32.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | EC50 | = | 13.5 | nM | 7.87 | Agonist activity at bfSPR to produce increase in intracellular [Ca2+] | 10794691 |
| Substance-P receptor | EC50 | = | 14.0 | nM | 7.85 | SP-induced [Ca2+] mobilization in CHO cells expressing human Tachykinin receptor... | 10794691 |
| Substance-P receptor | IC50 | = | 32.36 | nM | 7.49 | Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO ce... | 18067242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794691 | 10.1021/jm000093v | Substance-P receptor | 3 |
| 18067242 | 10.1021/jm070577s | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine