Compound Detail
CHEMBL15996
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CCCC1=C(C(=O)OCc2ccc(C(=O)NCCCN3CCCCC3)cc2)C(c2cccc(C)c2)NC(=O)N1
Basic Information
| ChEMBL ID | CHEMBL15996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVQHUMAHSJZNHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.75
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 1900.0 | nM | 5.72 | In vitro cAMP accumulation in HEK 293 cells. | 14980655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980655 | 10.1016/j.bmcl.2003.12.071 | HEK293 | 2 |
Data from ChEMBL 36 via Core Engine