Compound Detail
CHEMBL5188493
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CO[C@@H]1[C@H](N(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
Basic Information
| ChEMBL ID | CHEMBL5188493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSQSTYRDZFLOBK-UCRWPKHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1839.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | IC50 | = | 2.6 | nM | 8.59 | Inhibition of PKA (unknown origin) | 33730624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33730624 | 10.1016/j.ejmech.2021.113318 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine