Compound Detail
CHEMBL2030613
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Basic Information
| ChEMBL ID | CHEMBL2030613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLLWRTHDHRGHQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.21
ALogP
4
HBA
1
HBD
69.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rap guanine nucleotide exchange factor 4 CHEMBL2029198 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rap guanine nucleotide exchange factor 4 | IC50 | = | 5900.0 | nM | 5.23 | Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP b... | 22607683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607683 | 10.1016/j.bmcl.2012.04.082 | Rap guanine nucleotide exchange factor 4 | 5 |
| 22607683 | 10.1016/j.bmcl.2012.04.082 | Rap guanine nucleotide exchange factor 3 | 3 |
| 22607683 | 10.1016/j.bmcl.2012.04.082 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine