Compound Detail
CHEMBL2103855
TELOTRISTAT 🧪 Phase III
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🧪 Phase III
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL2103855 |
| Name | TELOTRISTAT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | NCLGDOBQAWBXRA-PGRDOPGGSA-N |
| Therapeutic | ✓ Yes |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
5
Indications
1
Mechanisms
Molecular Properties
546.9
MW (Da)
4.51
ALogP
8
HBA
3
HBD
142.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tryptophan 5-hydroxylase inhibitor | INHIBITOR | Tryptophan 5-hydroxylase | ✓ | ✓ |
Indications
Malignant Carcinoid Syndrome Colitis, Ulcerative Neuroendocrine Tumors Kidney Diseases Liver Diseases
ATC Classification
A16AX15
telotristat
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Activity Summary
IC50 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 CHEMBL5689 | IC50 | 7.8 | 6.955 | 16.0 | 4 |
| Tryptophan 5-hydroxylase 2 CHEMBL5433 | IC50 | 6.15 | 6.15 | 710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of TPH1 (unknown origin) | 26821821 |
| Tryptophan 5-hydroxylase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of TPH1 (unknown origin) | 27146606 |
| Tryptophan 5-hydroxylase 2 | IC50 | = | 710.0 | nM | 6.15 | Inhibition of N-terminal MBP-tagged full length human TPH2 assessed as reduction... | 35921615 |
| Tryptophan 5-hydroxylase 2 | IC50 | = | 710.0 | nM | 6.15 | Inhibition of recombinant MBP-tagged full length human THP2 using L-Trp as subst... | 37905925 |
| Tryptophan 5-hydroxylase 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of N-terminal MBP-tagged full length human TPH1 assessed as reduction... | 35921615 |
| Tryptophan 5-hydroxylase 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of recombinant MBP-tagged full length human THP1 using L-Trp as subst... | 37905925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor gamma | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H3 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Adenosine receptor A1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine