Compound Detail
CHEMBL2372068
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NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2)[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2372068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFFMEGUHCQFCU-CLOBBXFDSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1516.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.0
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | Kd | 8.0 | 7.78 | 10.0 | 3 |
| Substance-P receptor CHEMBL249 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | Kd | = | 10.0 | nM | 8.0 | Compound was evaluated for the blockade of NKA-induced (neurokinin A) IPs hydrol... | 9871768 |
| CHO | Kd | = | 18.2 | nM | 7.74 | Compound was evaluated for the blockade of [Pro]SP-induced cAMP formation in CHO... | 9871768 |
| CHO | Kd | = | 25.12 | nM | 7.6 | Compound was evaluated for the blockade of [Pro]SP-induced IPs hydrolysis in CHO... | 9871768 |
| Substance-P receptor | Ki | = | 79.0 | nM | 7.1 | Compound was evaluated for affinity towards human tachykinin NK-1 receptor expre... | 9871768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871768 | 10.1016/s0960-894x(98)00219-4 | CHO | 3 |
| 9871768 | 10.1016/s0960-894x(98)00219-4 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine