Compound Detail
CHEMBL197084
TROFINETIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL197084 |
| Name | TROFINETIDE |
| Phase | Approved |
| Structure Type | BOTH |
| InChI Key | BUSXWGRAOZQTEY-SDBXPKJASA-N |
| Therapeutic | ✓ Yes |
1
Targets
6
Activities
2
Assay Types
1
PK Parameters
10
Publications
5
Known Names
5
Indications
1
Mechanisms
Molecular Properties
315.3
MW (Da)
-1.24
ALogP
5
HBA
4
HBD
150.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2023 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Rett Syndrome Brain Concussion Brain Injuries Fragile X Syndrome Wounds and Injuries
ATC Classification
N07XX24
trofinetide
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
Ki 5 meas. best 5.1
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.1 | 4.74 | 7960.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 7960.0 | nM | 5.1 | Displacement of L-[3H]glutamate from N-methyl-D-aspartate glutamate receptor in ... | 15837309 |
| Glutamate NMDA receptor | Ki | = | 7960.0 | nM | 5.1 | Displacement of L[3H]glutamate from GluR in rat brain synaptic membrane | 16650992 |
| Glutamate NMDA receptor | Ki | = | 31240.0 | nM | 4.5 | Displacement of L-[3H]glutamate from N-methyl-D-aspartate glutamate receptor in ... | 15837309 |
| Glutamate NMDA receptor | Ki | = | 31240.0 | nM | 4.5 | Displacement of L-[3H]glutamate from glutamate receptor in rat brain synaptic me... | 16321525 |
| Glutamate NMDA receptor | Ki | = | 31240.0 | nM | 4.5 | Displacement of L[3H]glutamate from GluR in rat brain synaptic membrane | 16650992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00006A | No relevant target | 4 |
| 30522955 | 10.1016/j.bmcl.2018.11.057 | THP-1 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 15837309 | 10.1016/j.bmcl.2005.03.015 | Glutamate NMDA receptor | 2 |
| 16650992 | 10.1016/j.bmcl.2006.04.033 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 16321525 | 10.1016/j.bmcl.2005.11.040 | Glutamate NMDA receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30522955 | 10.1016/j.bmcl.2018.11.057 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine