Compound Detail
CHEMBL3650480
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CN(c1ccc(C(=O)NCc2ccccc2)cc1)c1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(Nc2ccc(O)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL3650480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNMXGJVQBLWDOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
4.89
ALogP
11
HBA
5
HBD
162.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 CHEMBL2073680 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
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 | = | 34.0 | nM | 7.47 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
Data from ChEMBL 36 via Core Engine