IUPAC name
1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILES
C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
Compound class
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors;
Therapeutic area
Treatment for symptomatic relief of benign prostatic hyperplasia .
Common name
Silodosin
IUPAC name
1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILES
C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
INCHI
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
FORMULA
C25H32F3N3O4
Common name
Silodosin
IUPAC name
1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
Molecular weight
495.534
clogP
4.598
clogS
-6.423
HBond Acceptor
5
HBond Donor
4
Total Polar Surface Area
97.05
Number of Rings
3
Rotatable Bond
14
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00212 | N-methylpropan-2-amine |
|
CNC(C)C | 0.0158 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF00478 | 2-ethoxyphenol |
|
C(C)Oc1c(cccc1)O | 0.0021 |
| FDBF00976 | 2,2,2-trifluoroethanol |
|
C(O)C(F)(F)F | 0.0034 |
| FDBF03366 | indoline-7-carboxamide |
|
N1c2c(cccc2C(=O)N)CC1 | 0.0003 |
| FDBF03376 | 5-propylindoline-7-carboxamide |
|
C(c1cc2c(c(c1)C(=O)N)NCC2)CC | 0.0003 |
