Compound Detail
CHEMBL1201391
TENIVASTATIN 🧪 Phase II
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🧪 Phase II
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
Basic Information
| ChEMBL ID | CHEMBL1201391 |
| Name | TENIVASTATIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XWLXKKNPFMNSFA-HGQWONQESA-N |
2
Targets
2
Activities
1
Assay Types
30
PK Parameters
9
Publications
6
Known Names
Molecular Properties
436.6
MW (Da)
4.11
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2529 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 120.0 | ng.eq.h.ml-1 | Homo sapiens |
| AUC | 263.0 | ng.eq.h.ml-1 | Homo sapiens |
| AUC | 668.0 | ng.eq.h.ml-1 | Homo sapiens |
| AUC | 3.0 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 44.0 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 93.0 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 152.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 410.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 37.67 | ng.hr.mL-1 | Homo sapiens |
| AUC | 36.61 | ng.hr.mL-1 | Homo sapiens |
| AUC | 41.54 | ng.hr.mL-1 | Homo sapiens |
| AUC | 47.76 | ng.hr.mL-1 | Homo sapiens |
| CL | 17.5 | mL.min-1.g-1 | Homo sapiens |
| CL | 46.28 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Cmax | 48.1 | nM | Homo sapiens |
| Cmax | 114.52 | nM | Homo sapiens |
| Cmax | 316.09 | nM | Homo sapiens |
| Cmax | 6.871 | nM | Macaca mulatta |
| Cmax | 25.2 | nM | Macaca mulatta |
| Cmax | 57.26 | nM | Macaca mulatta |
| Cmax | 137.43 | nM | Homo sapiens |
| Cmax | 274.86 | nM | Homo sapiens |
| Cmax | 274.86 | nM | Homo sapiens |
| Cmax | 10.31 | nM | Homo sapiens |
| Cmax | 8.887 | nM | Homo sapiens |
| Compound recovery | - | - | Rattus norvegicus |
| Compound recovery | - | - | Canis lupus familiaris |
| Compound recovery | - | - | Homo sapiens |
| Compound recovery | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B1 | IC50 | = | 3600.0 | nM | 5.44 | TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17be... | 15616150 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in mo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 15497697 | 10.1023/b:pham.0000041466.84653.8c | ATP-dependent translocase ABCB1 | 2 |
| 15616150 | 10.1124/dmd.104.002477 | ATP-dependent translocase ABCB1 | 1 |
| 15616150 | 10.1124/dmd.104.002477 | ATP-binding cassette sub-family C member 2 | 1 |
| 15616150 | 10.1124/dmd.104.002477 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 36566630 | 10.1016/j.ejmech.2022.115010 | Rhizomucor pusillus | 1 |
| 36566630 | 10.1016/j.ejmech.2022.115010 | Lichtheimia corymbifera | 1 |
| 36566630 | 10.1016/j.ejmech.2022.115010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine