Compound Detail
CHEMBL2074814
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Basic Information
| ChEMBL ID | CHEMBL2074814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAAOGZMKEJNHLW-HOTGVXAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
1.74
ALogP
6
HBA
5
HBD
158.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 CHEMBL3004 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 | Ki | = | 700.0 | nM | 6.16 | TP_TRANSPORTER: inhibition of GSSG uptake in membrane vesicle from MRP1-expressi... | 8670053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10491184 | 10.1046/j.1432-1327.1999.00735.x | ATP-binding cassette sub-family C member 2 | 1 |
| 8670053 | 10.1042/bj3140433 | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine