Compound Detail
CHEMBL2074647
METIPRENALINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2074647 |
| Name | METIPRENALINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XXCCGRRUBBGZRE-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
2
Known Names
Molecular Properties
225.3
MW (Da)
1.43
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 3 meas. best 4.6
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 3 CHEMBL2073673 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL2073670 | Ki | 4.6 | 4.485 | 25000.0 | 2 |
| Solute carrier family 22 member 1 CHEMBL2073670 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 3 | IC50 | = | 4380.0 | nM | 5.36 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK... | 12110607 |
| Solute carrier family 22 member 1 | Ki | = | 25000.0 | nM | 4.6 | TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | 8878062 |
| Solute carrier family 22 member 1 | IC50 | = | 37000.0 | nM | 4.43 | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | 11502595 |
| Solute carrier family 22 member 1 | Ki | = | 43000.0 | nM | 4.37 | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | 7990927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11502595 | 10.1152/ajprenal.2001.281.3.f454 | Solute carrier family 22 member 1 | 1 |
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 3 | 1 |
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 1 | 1 |
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 2 | 1 |
| 9812985 | 10.1074/jbc.273.47.30915 | Solute carrier family 22 member 2 | 1 |
| 8878062 | 10.1007/bf00171063 | Solute carrier family 22 member 1 | 1 |
| 7990927 | 10.1038/372549a0 | Solute carrier family 22 member 1 | 1 |
| 9260930 | 10.1089/dna.1997.16.871 | Solute carrier family 22 member 2 | 1 |
Data from ChEMBL 36 via Core Engine