Compound Detail
CHEMBL1275655
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL1275655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVJMLYUFVDMUHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
6.02
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 CHEMBL1075183 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 | IC50 | = | 750.0 | nM | 6.12 | Activation of bovine TREK1 expressed in AZT cells assessed as reduction in chann... | 26588045 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of ABCG2 (unknown origin) expressed in human MCF7/MX cells mediated m... | 35483322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 26588045 | 10.1021/acs.jmedchem.5b00671 | Potassium channel subfamily K member 2 | 1 |
| 35483322 | 10.1016/j.ejmech.2022.114346 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine