Common name
p-xylene
IUPAC name
p-xylene
SMILES
c1c(ccc(c1)C)C
Common name
p-xylene
IUPAC name
p-xylene
SMILES
c1c(ccc(c1)C)C
INCHI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
FORMULA
C8H10
Common name
p-xylene
IUPAC name
p-xylene
Molecular weight
106.165
clogP
2.831
clogS
-2.497
Frequency
0.0024
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01085 | Gemfibrozil |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; 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; CYP3A4 Inhibitors; | For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet. |
| FDBD01497 | Plerixafor |
|
Anti-HIV Agents; Hematopoietic Agents; Antineoplastic and Immunomodulating Agents; Immunostimulants; | Used in combination with granulocyte-colony stimulating factor (G-CSF, filgrastim) to mobilize hematopoietic stem cells to the peripheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma (NHL) and multiple myeloma (MM). |
| FDBD01548 | Fingolimod |
|
Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Fingolimod is a sphingosine 1-phosphate receptor modulator indicated for the treatment of patients with relapsing forms of multiple sclerosis to reduce the frequency of clinical exacerbations and to delay the accumulation of physical disability. |
| FDBD02277 | methothrin |
|
Insecticide | Insecticide |
| FDBD02315 | spirotetramat |
|
Insecticide | Insecticide |
| FDBD02903 | dimoxystrobin |
|
Fungicide | Fungicide |
| FDBD02910 | mandestrobin |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 187l_ligand_frag_0.mol2 | 187l | 1 | -7.52 | c1(ccc(cc1)C)C | 8 |
| 187l_ligand.mol2 | 187l | 1 | -7.52 | c1(ccc(cc1)C)C | 9 |
| 4dce_ligand_1_8.mol2 | 4dce | 1 | -7.39 | Cc1ccc(cc1)C | 8 |
| 4yuz_ligand_1_0.mol2 | 4yuz | 1 | -7.32 | c1cc(ccc1C)C | 8 |
| 3ms2_ligand_1_4.mol2 | 3ms2 | 1 | -7.30 | c1(ccc(cc1)C)C | 8 |
| 5bvn_ligand_1_0.mol2 | 5bvn | 1 | -7.27 | Cc1ccc(cc1)C | 8 |
| 2ay4_ligand_1_1.mol2 | 2ay4 | 1 | -7.24 | Cc1ccc(cc1)C | 8 |
| 4v24_ligand_2_30.mol2 | 4v24 | 1 | -7.23 | Cc1ccc(cc1)C | 8 |
| 4b7z_ligand_1_5.mol2 | 4b7z | 1 | -7.11 | c1c(ccc(c1)C)C | 8 |
2633 ,
264
