Compound Detail
CHEMBL2372954
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2372954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYMKJUIWSQVJBP-BBACVFHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
752.9
MW (Da)
1.52
ALogP
7
HBA
8
HBD
230.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL3942 | EC50 | 6.05 | 6.05 | 892.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | EC50 | = | 892.3 | nM | 6.05 | Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitu... | 1694545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1694545 | 10.1021/jm00169a003 | Substance-P receptor | 2 |
| 1694545 | 10.1021/jm00169a003 | Substance-K receptor | 2 |
Data from ChEMBL 36 via Core Engine