Compound Detail
CHEMBL3650458
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[N-]=[N+]=NCCOCCOCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3650458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEWPUTUJPKJSGB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
729.8
MW (Da)
4.01
ALogP
14
HBA
6
HBD
238.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 CHEMBL2073680 | IC50 | 6.65 | 6.535 | 223.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 | IC50 | = | 223.8 | nM | 6.65 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
| Solute carrier organic anion transporter family member 2A1 | IC50 | = | 378.0 | nM | 6.42 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
Data from ChEMBL 36 via Core Engine