Compound Detail
CHEMBL2074809
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N[C@@H](CCC(=O)N[C@@H](CSc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(O)c(S(=O)(=O)O)c1)c1ccc(O)c(S(=O)(=O)O)c1)C(=O)NCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2074809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYAIUPAWEHSTCA-KBPBESRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1020.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | Ki | 7.34 | 7.34 | 46.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 | Ki | = | 46.1 | nM | 7.34 | TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicle... | 15618649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9794920 | 10.1002/hep.510280524 | Solute carrier organic anion transporter family member 1A1 | 2 |
| 2333302 | 10.1073/pnas.87.9.3557 | ATP-binding cassette sub-family C member 2 | 1 |
| 15618649 | 10.2133/dmpk.17.23 | ATP-binding cassette sub-family C member 2 | 1 |
Data from ChEMBL 36 via Core Engine