Compound Detail
CHEMBL3650485
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O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3650485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCCKOJCYCBFHCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
636.7
MW (Da)
4.99
ALogP
10
HBA
6
HBD
162.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 CHEMBL2073680 | IC50 | 7.5 | 7.5 | 31.7 | 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 | = | 31.7 | nM | 7.5 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
Data from ChEMBL 36 via Core Engine