Compound Detail
CHEMBL525408
APAMIN Enter ChEMBL ID:
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CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL525408 |
| Name | APAMIN |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YVIIHEKJCKCXOB-STYWVVQQSA-N |
5
Targets
19
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
2027.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 10.96
Ki 5 meas. best 10.3
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.96 | 10.324 | 0.0 | 5 |
| Small conductance calcium-activated potassium channel protein 1 CHEMBL2369 | IC50 | 10.85 | 10.85 | 0.0 | 1 |
| Small conductance calcium-activated potassium channel protein 1 CHEMBL3743 | IC50 | 10.62 | 10.62 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | IC50 | 10.19 | 9.985 | 0.1 | 4 |
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033276 | 10.1021/jm049025p | Small conductance calcium-activated potassium channel | 2 |
| 18824351 | 10.1016/j.bmcl.2008.08.026 | Small conductance calcium-activated potassium channel protein 3 | 2 |
| 18983139 | 10.1021/jm8007618 | Small conductance calcium-activated potassium channel protein 1 | 2 |
| 8496700 | 10.1021/np50094a001 | Unchecked | 2 |
| 18774291 | 10.1016/j.bmcl.2008.08.023 | Small conductance calcium-activated potassium channel protein 3 | 2 |
| 23466604 | 10.1016/j.ejmech.2013.01.044 | Unchecked | 2 |
| 28849908 | 10.1021/acschembio.7b00481 | Unchecked | 2 |
| 15225721 | 10.1016/j.bmcl.2004.05.031 | Unchecked | 1 |
| 17125273 | 10.1021/jm0607395 | Small conductance calcium-activated potassium channel | 1 |
| 18774291 | 10.1016/j.bmcl.2008.08.023 | Unchecked | 1 |
| 18588282 | 10.1021/jm701575k | Unchecked | 1 |
| 20875743 | 10.1016/j.bmc.2010.07.034 | Small conductance calcium-activated potassium channel protein 1 | 1 |
| 23582449 | 10.1016/j.bmc.2013.03.016 | Unchecked | 1 |
| 23685886 | 10.1016/j.ejmech.2013.02.029 | Small conductance calcium-activated potassium channel protein 3 | 1 |
Data from ChEMBL 36 via Core Engine