Compound Detail
CHEMBL4559408
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CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4559408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBRBZVDPIWOVAV-RJISSDALSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2455.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 1 CHEMBL1293292 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Kir3.1/Kir3.4 CHEMBL3038488 | Ki | 8.09 | 8.09 | 8.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 1 | Ki | = | 2.0 | nM | 8.7 | Inhibition of ROMK (unknown origin) | 31034224 |
| Kir3.1/Kir3.4 | Ki | = | 8.2 | nM | 8.09 | Inhibition GIRK1/4 (unknown origin) | 31034224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31034224 | 10.1021/acs.jmedchem.8b01891 | ATP-sensitive inward rectifier potassium channel 1 | 1 |
| 31034224 | 10.1021/acs.jmedchem.8b01891 | Kir3.1/Kir3.4 | 1 |
Data from ChEMBL 36 via Core Engine