Compound Detail
CHEMBL3348963
TELOTRISTAT ETIPRATE 💊 Approved Drug
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💊 Approved Drug
CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3348963 |
| Name | TELOTRISTAT ETIPRATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XSFPZBUIBYMVEA-CELUQASASA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL2105695 |
| Active Moiety | CHEMBL2103855 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
8
Known Names
3
Indications
1
Mechanisms
Molecular Properties
575.0
MW (Da)
4.99
ALogP
9
HBA
2
HBD
131.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tryptophan 5-hydroxylase inhibitor | INHIBITOR | Tryptophan 5-hydroxylase | ✓ | ✓ |
Indications
Carcinoid Tumor Diarrhea Neuroendocrine Tumors
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Tryptophan 5-hydroxylase 1 CHEMBL5689 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against rat RBL-2H3 cells assessed as inhibition of g... | 36155354 |
| Tryptophan 5-hydroxylase 1 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human TPH1 | 36155354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | Tryptophan 5-hydroxylase 1 | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine