Compound Detail
CHEMBL3650466
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O=C(O)Cc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3650466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVPKBGNTHGKWFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
3.86
ALogP
10
HBA
5
HBD
159.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 2A1 CHEMBL2073680 | IC50 | 5.25 | 5.25 | 5570.0 | 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 | = | 5570.0 | nM | 5.25 | Inhibition Assay: MDCK cells stably transfected with rat PGT (Endo et al., 2002)... | - |
Data from ChEMBL 36 via Core Engine