Compound Detail
CHEMBL3544914
TEZACAFTOR 💊 Approved Drug
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💊 Approved Drug
CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
Basic Information
| ChEMBL ID | CHEMBL3544914 |
| Name | TEZACAFTOR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MJUVRTYWUMPBTR-MRXNPFEDSA-N |
| Therapeutic | ✓ Yes |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
520.5
MW (Da)
3.40
ALogP
7
HBA
4
HBD
113.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator positive modulator | POSITIVE MODULATOR | Cystic fibrosis transmembrane conductance regulator | ✓ | ✓ |
Indications
Cystic Fibrosis
Activity Summary
EC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.57 | 6.3667 | 272.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 25.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 272.0 | nM | 6.57 | Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in m... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 272.0 | nM | 6.57 | Ussing Chamber Assay: Single-Channel Recordings activity of wt-CFTR and temperat... | - |
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 1100.0 | nM | 5.96 | Potentiation of CFTR F508del mutant (unknown origin) expressed in NIH3T3 cells | 38194776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 37440686 | 10.1021/acs.jmedchem.3c00608 | Cystic fibrosis transmembrane conductance regulator | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glucocorticoid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38516587 | 10.1039/d3md00677h | ADMET | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Neuronal acetylcholine receptor subunit alpha-4 | 1 |
Data from ChEMBL 36 via Core Engine