Compound Detail
CHEMBL3650468
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
O=C(NCCOCCOCCNc1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)nc(Nc2ccc3[nH]ncc3c2)n1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3650468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATEHMSXNXFHSFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
686.8
MW (Da)
5.04
ALogP
11
HBA
6
HBD
180.1
PSA (Ų)
0.07
QED
4
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 CHEMBL2073680 | IC50 | 6.94 | 6.94 | 115.0 | 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 | = | 115.0 | nM | 6.94 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
Data from ChEMBL 36 via Core Engine