Compound Detail
CHEMBL2132316
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O=C(c1coc2ccccc12)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
Basic Information
| ChEMBL ID | CHEMBL2132316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPPOFDZAQMSYPT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
5.36
ALogP
7
HBA
0
HBD
80.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 10.87 | 10.87 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 0.01351 | nM | 10.87 | PubChem BioAssay. Dose Response for ABC transporter inhibitors: specifically ABC... | - |
Data from ChEMBL 36 via Core Engine