Compound Detail
CHEMBL3609086
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CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)C(CCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3609086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJZYXUKLPMRGGH-IHJPEHCYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4026.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | IC50 | 10.96 | 10.96 | 0.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 10.09 | 9.9367 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 1 | IC50 | = | 0.011 | nM | 10.96 | Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibit... | 26288216 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 0.082 | nM | 10.09 | Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibiti... | 26288216 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 0.086 | nM | 10.07 | Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thap... | 26288216 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 0.223 | nM | 9.65 | Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thap... | 26288216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288216 | 10.1021/acs.jmedchem.5b00495 | Potassium voltage-gated channel subfamily A member 3 | 3 |
| 26288216 | 10.1021/acs.jmedchem.5b00495 | Potassium voltage-gated channel subfamily A member 1 | 1 |
| 26288216 | 10.1021/acs.jmedchem.5b00495 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine