IUPAC name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
SMILES
CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
Sorafenib is indicated for the treatment of unresectable hepatocellular carcinoma and advanced renal cell carcinoma.
Common name
Sorafenib
IUPAC name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
SMILES
CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
INCHI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
FORMULA
C21H16ClF3N4O3
Common name
Sorafenib
IUPAC name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
Molecular weight
464.825
clogP
3.777
clogS
-7.088
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
92.35
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00867 | pyridin-4-ol |
|
Oc1ccncc1 | 0.0007 |
| FDBF00868 | (4-chlorophenyl)urea |
|
O=C(Nc1ccc(cc1)Cl)N | 0.0010 |
| FDBF00870 | N-methylpyridine-2-carboxamide |
|
O=C(NC)c1ncccc1 | 0.0007 |
| FDBF00872 | [4-chloro-3-(trifluoromethyl)phenyl]urea |
|
O=C(Nc1cc(c(cc1)Cl)C(F)(F)F)N | 0.0010 |
| FDBF00873 | 1-(4-chlorophenyl)-3-phenyl-urea |
|
O=C(Nc1ccc(cc1)Cl)Nc2ccccc2 | 0.0003 |
| FDBF00874 | N-methyl-4-phenoxy-pyridine-2-carboxamide |
|
O(c1ccccc1)c2cc(ncc2)C(=O)NC | 0.0003 |
