| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H37N5O3 |
| Molecular Weight | 527.6572 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C(O)=O)C1=CN2N=C(NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=CC2=N1
InChI
InChIKey=WTBRUSNNZKWTMI-UHFFFAOYSA-N
InChI=1S/C31H37N5O3/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38)
| Molecular Formula | C31H37N5O3 |
| Molecular Weight | 527.6572 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Bamirastine (previously known as TAK 427), an antiallergic compound that inhibits ligand binding to recombinant human histamine H1 receptor. The drug was involved in phase II clinical trials for the treatment of allergic rhinitis and for patients with atopic dermatitis. However, these studies were discontinued.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 17.3 nM [IC50] |
