Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
SMILES
c1ccc(cc1)C(F)(F)F
Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
SMILES
c1ccc(cc1)C(F)(F)F
INCHI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
FORMULA
C7H5F3
Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
Molecular weight
146.110
clogP
2.829
clogS
-2.504
Frequency
0.0172
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01310 | Niflumic Acid |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | Used in the treatment of rheumatoid arthritis. |
| FDBD01336 | Nilotinib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 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; | For the potential treatment of various leukemias, including chronic myeloid leukemia (CML). |
| FDBD01346 | Flibanserin |
|
Genito Urinary System and Sex Hormones; CYP3A4 Inhibitors; | For the treatment of hypoactive sexual desire disorder (HSDD) in premenopausal women. |
| FDBD01457 | Fosaprepitant |
|
Antiemetics; Neurokinin-1 Receptor Antagonists; | For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
| FDBD01564 | Ponatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; | Ponatinib is indicated for the treatment of adult patients with chronic phase, accelerated phase, or blast phase chronic myeloid leukemia (CML) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy or Philadelphia chromosome positive acute lymphoblastic leukemia (Ph+ALL) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy. |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | |
| FDBD01645 | Netupitant |
|
Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Netupitant is an antiemitic drug approved by the FDA in October 2014 for use in combination with palonosetron for the prevention of acute and delayed vomiting and nausea associated with cancer chemotherapy including highly emetogenic chemotherapy. |
| FDBD01734 | Lorpiprazole |
|
; | |
| FDBD01783 | Morniflumate |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; |
50 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i80_ligand_1_0.mol2 | 2i80 | 1 | -7.23 | c1(ccccc1)C(F)(F)F | 10 |
| 4mm9_ligand_1_9.mol2 | 4mm9 | 1 | -7.20 | c1ccc(cc1)C(F)(F)F | 10 |
| 4mm8_ligand_1_0.mol2 | 4mm8 | 1 | -7.18 | FC(F)(F)c1ccccc1 | 10 |
| 4g31_ligand_1_3.mol2 | 4g31 | 1 | -7.16 | FC(F)(F)c1ccccc1 | 10 |
| 4hvs_ligand_1_5.mol2 | 4hvs | 1 | -7.16 | c1ccc(cc1)C(F)(F)F | 10 |
219 ,
22
