Compound Detail
CHEMBL2335442
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2335442 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RJQKIIUKVQSZKI-OWULKIJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
3663.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | IC50 | = | 40.0 | nM | 7.4 | Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamt... | 23395965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23395965 | 10.1016/j.ejmech.2012.12.053 | Unchecked | 4 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 3 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | HT-29 | 3 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | ADMET | 2 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | MCF7 | 2 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | NON-PROTEIN TARGET | 2 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 23395965 | 10.1016/j.ejmech.2012.12.053 | Calcium/calmodulin-dependent protein kinase type 1 | 1 |
Data from ChEMBL 36 via Core Engine