General Information of the Compound
| Compound ID |
CP0148603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Lumacaftor
Show/Hide
|
||||||||||||||||||
| Synonyms |
Lumacaftor
VRT-325
VRT-422
VRT-532
VX-809
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18F2N2O5
|
||||||||||||||||||
| Molecular Weight |
452.413
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFSKUSARDNFIRC-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
936727-05-8
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Clinical Information about the Compound