Compound Detail
CHEMBL4633668
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C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL4633668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWHASZQTEFAUJC-GJRPNUFSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1045.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | EC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B3 | EC50 | = | 3.0 | nM | 8.52 | Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assesse... | 32464061 |
| Solute carrier organic anion transporter family member 1B1 | EC50 | = | 4.5 | nM | 8.35 | Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assesse... | 32464061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32464061 | 10.1021/acs.jnatprod.0c00251 | HEK293 | 2 |
| 32464061 | 10.1021/acs.jnatprod.0c00251 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 32464061 | 10.1021/acs.jnatprod.0c00251 | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine