Compound Detail
CHEMBL2110361
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CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)C2CCCN2)C1=O
Basic Information
| ChEMBL ID | CHEMBL2110361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGWMZTZKJBLVMI-BOQZUZHWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1372.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.9
Ki 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | Kd | 7.9 | 7.6333 | 12.6 | 3 |
| Substance-P receptor CHEMBL249 | Ki | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | Kd | = | 12.59 | nM | 7.9 | Compound was evaluated for the blockade of NKA-induced (neurokinin A) IPs hydrol... | 9871768 |
| CHO | Kd | = | 15.85 | nM | 7.8 | Compound was evaluated for the blockade of [Pro]SP-induced cAMP formation in CHO... | 9871768 |
| Substance-P receptor | Ki | = | 56.0 | nM | 7.25 | Compound was evaluated for affinity towards human tachykinin NK-1 receptor expre... | 9871768 |
| CHO | Kd | = | 63.1 | nM | 7.2 | Compound was evaluated for the blockade of [Pro]SP-induced IPs hydrolysis in CHO... | 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