Compound Detail
CHEMBL363392
MARALIXIBAT 💊 Approved Drug
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💊 Approved Drug
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL363392 |
| Name | MARALIXIBAT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | STPKWKPURVSAJF-LJEWAXOPSA-N |
| Therapeutic | ✓ Yes |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
6
Known Names
3
Indications
1
Mechanisms
Molecular Properties
675.0
MW (Da)
6.62
ALogP
6
HBA
1
HBD
70.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2021 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Ileal bile acid transporter inhibitor | INHIBITOR | Ileal sodium/bile acid cotransporter | ✓ | ✓ |
Indications
Alagille Syndrome Biliary Atresia Liver Diseases
Activity Summary
IC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileal sodium/bile acid cotransporter CHEMBL2778 | IC50 | 9.55 | 9.55 | 0.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | - | nM | Rattus norvegicus |
| Cmax | - | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileal sodium/bile acid cotransporter | IC50 | = | 0.28 | nM | 9.55 | In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby ... | 16134951 |
| Ileal sodium/bile acid cotransporter | IC50 | = | 0.28 | nM | 9.55 | Inhibition of human IBAT | 36923921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134951 | 10.1021/jm0402162 | ADMET | 4 |
| 16134951 | 10.1021/jm0402162 | Ileal sodium/bile acid cotransporter | 1 |
| 36923921 | 10.1021/acsmedchemlett.3c00001 | ADMET | 1 |
| 36923921 | 10.1021/acsmedchemlett.3c00001 | Ileal sodium/bile acid cotransporter | 1 |
Data from ChEMBL 36 via Core Engine