Compound Detail
CHEMBL4786321
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4786321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYSGMSZOVDOHJH-XMTLNCGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3459.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 | EC50 | = | 2.6 | nM | 8.59 | Inhibition of recombinant human SK3 expressed in HEK293T cells assessed as reduc... | 32832033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832033 | 10.1021/acsmedchemlett.0c00300 | Small conductance calcium-activated potassium channel protein 3 | 4 |
| 32832033 | 10.1021/acsmedchemlett.0c00300 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| 32832033 | 10.1021/acsmedchemlett.0c00300 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine