Compound Detail
CHEMBL5190946
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N=C(N)NCCCC(NC(=O)CCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)c1ccc(-c2ccnc(N)n2)[se]1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5190946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZFKVXKMXOQLDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1745.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit beta CHEMBL2918 | Kd | 10.89 | 10.89 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 10.72 | 10.72 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit beta | Kd | = | 0.013 | nM | 10.89 | Binding affinity to human wild-type PKAc beta assessed as dissociation constant | 33730624 |
| Unchecked | Kd | = | 0.019 | nM | 10.72 | Binding affinity to human PKAc beta-S54L mutant assessed as dissociation constan... | 33730624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33730624 | 10.1016/j.ejmech.2021.113318 | Unchecked | 1 |
| 33730624 | 10.1016/j.ejmech.2021.113318 | cAMP-dependent protein kinase catalytic subunit beta | 1 |
Data from ChEMBL 36 via Core Engine