Compound Detail
CHEMBL5174274
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N=C(N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5174274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTRPJZSEFDCNJC-VSGBNLITSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
798.0
MW (Da)
0.00
ALogP
10
HBA
11
HBD
319.3
PSA (Ų)
0.03
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | IC50 | 6.4 | 5.9933 | 400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 400.0 | nM | 6.4 | Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha... | 35960538 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 500.0 | nM | 6.3 | Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha... | 35960538 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 5300.0 | nM | 5.28 | Irreversible inhibition of ARC-1063 fluorescent probe binding to recombinant hum... | 35960538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35960538 | 10.1021/acs.jmedchem.2c00067 | cAMP-dependent protein kinase catalytic subunit alpha | 3 |
Data from ChEMBL 36 via Core Engine