Compound Detail
CHEMBL2137680
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Basic Information
| ChEMBL ID | CHEMBL2137680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAPUTVRCDWHPQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.70
ALogP
6
HBA
1
HBD
58.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 10.74 | 10.74 | 0.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | EC50 | 10.39 | 10.39 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 0.01824 | nM | 10.74 | PubChem BioAssay. Dose Response for ABC transporter inhibitors: specifically ABC... | - |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | EC50 | = | 0.04093 | nM | 10.39 | PubChem BioAssay. Dose Response for ABC transporter inhibitors: specifically ABC... | - |
Data from ChEMBL 36 via Core Engine