IUPAC name
N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-7-yl]-4-(4-phenylbutoxy)benzamide
SMILES
O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
Compound class
Anti-Asthmatic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors;
Therapeutic area
Used as an adjunct to the standard therapy of inhaled steroids with inhaled long- and/or short-acting beta-agonists.
Common name
Pranlukast
IUPAC name
N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-7-yl]-4-(4-phenylbutoxy)benzamide
SMILES
O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
INCHI
InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)
FORMULA
C27H23N5O4
Common name
Pranlukast
IUPAC name
N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-7-yl]-4-(4-phenylbutoxy)benzamide
Molecular weight
481.503
clogP
5.121
clogS
-8.490
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
123
Number of Rings
5
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00048 | benzamide |
|
O=C(N)c1ccccc1 | 0.0117 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
| FDBF03005 | N-(4-oxochromen-8-yl)formamide |
|
o1c2c(cccc2c(=O)cc1)NC=O | 0.0003 |
| FDBF03007 | 4-ethoxybenzamide |
|
CCOc1ccc(cc1)C(=O)N | 0.0003 |
