Compound Detail
CHEMBL5179794
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CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(=O)CF
Basic Information
| ChEMBL ID | CHEMBL5179794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYHDFSAXUNSCJZ-WDMGAOPMSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1255.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 10.64 | 10.64 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3167 | hr | Homo sapiens |
| T1/2 | 0.74 | hr | - |
| T1/2 | 0.37 | hr | - |
| T1/2 | 1.31 | hr | - |
| T1/2 | 0.95 | hr | - |
| T1/2 | 0.32 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | Ki | = | 0.023 | nM | 10.64 | Covalent inhibition of human recombinant PKAC-alpha assessed as inhibition const... | 35960538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35960538 | 10.1021/acs.jmedchem.2c00067 | cAMP-dependent protein kinase catalytic subunit alpha | 10 |
| 35960538 | 10.1021/acs.jmedchem.2c00067 | ADMET | 4 |
Data from ChEMBL 36 via Core Engine