Compound Detail
CHEMBL268550
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Basic Information
| ChEMBL ID | CHEMBL268550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQGNZMYSKIBCKI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
1.83
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 5.21 | 5.21 | 6180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | IC50 | = | 5.5 | nM | 8.26 | Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum | 3361572 |
| Adenosine receptor A1 | IC50 | = | 9.5 | nM | 8.02 | Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenos... | 3361572 |
| Cavia porcellus | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of 2-chloroadenosine-induced relaxation in histamine-contracted guine... | 3361572 |
| Casein kinase I isoform delta | IC50 | = | 3640.0 | nM | 5.44 | Inhibition of CK1delta (unknown origin) | 36346705 |
| Casein kinase I isoform alpha | IC50 | = | 6180.0 | nM | 5.21 | Inhibition of CK1alpha (unknown origin) | 36346705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3361572 | 10.1021/jm00400a022 | Adenosine receptor A1 | 2 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | C2C12 | 2 |
| 3361572 | 10.1021/jm00400a022 | Adenosine A2 receptor | 1 |
| 3361572 | 10.1021/jm00400a022 | Cavia porcellus | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform delta | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform epsilon | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform alpha | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine