Compound Detail
CHEMBL4101487
GALICAFTOR 🧪 Phase II
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🧪 Phase II
O=C(O)c1ccc([C@H]2C[C@@H](NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c3ccc(OC(F)F)cc3O2)cc1
Basic Information
| ChEMBL ID | CHEMBL4101487 |
| Name | GALICAFTOR |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QVDYQHXNAQHIKH-TZIWHRDSSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
9
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
559.5
MW (Da)
5.72
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 116.67 | mL.min-1.kg-1 | Homo sapiens |
| CL | 50.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.167 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.83 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 74.0 | % | Rattus norvegicus |
| F | 40.0 | % | Canis lupus familiaris |
| T1/2 | 2.7 | hr | Rattus norvegicus |
| T1/2 | 5.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 5.0 | nM | 8.3 | Corrector activity at CFTR F508del/F508del mutant in primary HBE cells assessed ... | 29251932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Cystic fibrosis transmembrane conductance regulator | 3 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Rattus norvegicus | 3 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Canis familiaris | 3 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | ADMET | 2 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Hepatocyte | 1 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Cytochrome P450 3A4 | 1 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Cytochrome P450 1A2 | 1 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Cytochrome P450 2C9 | 1 |
| 29251932 | 10.1021/acs.jmedchem.7b01339 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine