Compound Detail
CHEMBL1231530
BETAMIPRON 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1231530 |
| Name | BETAMIPRON |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CWXYHOHYCJXYFQ-UHFFFAOYSA-N |
3
Targets
9
Activities
2
Assay Types
11
PK Parameters
20
Publications
3
Known Names
Molecular Properties
193.2
MW (Da)
0.89
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 5.22
Ki 4 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | IC50 | 5.22 | 4.815 | 6000.0 | 2 |
| Organic anion transporter 3 CHEMBL1641348 | IC50 | 5.0 | 5.0 | 9920.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 4.63 | 4.63 | 23600.0 | 2 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 4.32 | 4.32 | 48300.0 | 1 |
| Organic anion transporter 3 CHEMBL2073666 | IC50 | 4.32 | 4.32 | 47500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.9 | mL.min-1.kg-1 | Macaca |
| CL | 8.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 9.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.18 | L/hr | Homo sapiens |
| CL | 0.615 | L/hr | Homo sapiens |
| Fu | 0.17 | - | Homo sapiens |
| MRT | 0.51 | hr | Homo sapiens |
| T1/2 | 0.59 | hr | Homo sapiens |
| T1/2 | 0.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | IC50 | = | 6000.0 | nM | 5.22 | TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells | 10991954 |
| Organic anion transporter 3 | IC50 | = | 9920.0 | nM | 5.0 | TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells | 14978359 |
| Solute carrier family 22 member 6 | Ki | = | 23600.0 | nM | 4.63 | Inhibition of human Oat1 expressed in Drosophila S2 cells | 21571536 |
| Solute carrier family 22 member 6 | Ki | = | 23600.0 | nM | 4.63 | TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells | 11426832 |
| Solute carrier family 22 member 6 | IC50 | = | 39000.0 | nM | 4.41 | TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cells | 14978359 |
| Organic anion transporter 3 | IC50 | = | 47500.0 | nM | 4.32 | TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cells | 14978359 |
| Organic anion transporter 3 | Ki | = | 48300.0 | nM | 4.32 | TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells | 11426832 |
Literature References
Data from ChEMBL 36 via Core Engine