Compound Detail
CHEMBL235363
SUBSTANCE P Phase I
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Phase I
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL235363 |
| Name | SUBSTANCE P |
| Phase | Phase I |
| Structure Type | BOTH |
| InChI Key | ADNPLDHMAVUMIW-CUZNLEPHSA-N |
16
Targets
53
Activities
3
Assay Types
2
PK Parameters
20
Publications
5
Known Names
2
Indications
Molecular Properties
1347.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Indications
Diabetes Mellitus, Type 1 Rhinitis, Allergic, Seasonal
Activity Summary
IC50 27 meas. best 10.15
EC50 22 meas. best 10.24
Ki 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | EC50 | 10.24 | 9.42 | 0.1 | 4 |
| Substance-P receptor CHEMBL3942 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 9.92 | 9.161 | 0.1 | 10 |
| Substance-P receptor CHEMBL4027 | IC50 | 9.92 | 9.4967 | 0.1 | 9 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 9.21 | 9.21 | 0.6 | 1 |
| Substance-P receptor CHEMBL3942 | EC50 | 9.0 | 8.52 | 1.0 | 3 |
| CHO CHEMBL613853 | EC50 | 9.0 | 8.55 | 1.0 | 2 |
| Substance-K receptor CHEMBL4554 | EC50 | 9.0 | 7.52 | 1.0 | 3 |
| Substance-P receptor CHEMBL4027 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Substance-P receptor CHEMBL249 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 8.7 | 8.65 | 2.0 | 2 |
| Substance-P receptor CHEMBL3942 | Ki | 7.3 | 7.3 | 50.5 | 1 |
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 7.18 | 7.18 | 66.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Neuromedin-K receptor CHEMBL3154 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Substance-K receptor CHEMBL2304405 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Substance-K receptor CHEMBL4554 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 6.61 | 6.61 | 245.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| Neuromedin-K receptor CHEMBL3799 | IC50 | 6.14 | 6.14 | 717.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | EC50 | 6.1 | 6.1 | 793.0 | 1 |
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.97 | 5.63 | 1071.5 | 2 |
| Neuromedin-K receptor CHEMBL3154 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3667 | hr | Mus musculus |
| T1/2 | 0.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine