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 |
|---|---|---|---|---|
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00477 | 2-methoxyphenol |
|
c1(c(cccc1)O)OC | 0.0079 |
| FDBF03369 | 1-methylindoline-7-carboxamide |
|
CN1c2c(cccc2C(=O)N)CC1 | 0.0003 |
| FDBF03370 | 5-methylindoline-7-carboxamide |
|
Cc1cc2c(c(c1)C(=O)N)NCC2 | 0.0003 |
| FDBF03373 | 3-indolin-1-ylpropan-1-ol |
|
C(N1c2c(cccc2)CC1)CCO | 0.0003 |
| FDBF03379 | 1-ethyl-5-methyl-indoline-7-carboxamide |
|
CCN1c2c(cc(cc2C(=O)N)C)CC1 | 0.0003 |
| FDBF03384 | (2R)-1-(1-ethylindolin-5-yl)propan-2-amine |
|
CCN1c2c(cc(cc2)CC(C)N)CC1 | 0.0003 |
| FDBF03385 | indoline |
|
N1c2c(cccc2)CC1 | 0.0007 |
