Compound Detail
CHEMBL5189362
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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(N)=O)C(=O)NCC(C)=O
Basic Information
| ChEMBL ID | CHEMBL5189362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHIKJGTYMJUDGE-BTRGJUCVSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1081.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Kd 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.008333 | 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 | Kd | = | 0.63 | nM | 9.2 | Displacement of ARC-1063 fluorescent probe from recombinant human PKAC-alpha ass... | 35960538 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 790.0 | nM | 6.1 | Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha... | 35960538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35960538 | 10.1021/acs.jmedchem.2c00067 | cAMP-dependent protein kinase catalytic subunit alpha | 5 |
Data from ChEMBL 36 via Core Engine