IUPAC name
dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
SMILES
CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2
Compound class
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of acute migraine headache in adults.
Common name
Almotriptan
IUPAC name
dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
SMILES
CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2
INCHI
InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
FORMULA
C17H25N3O2S
Common name
Almotriptan
IUPAC name
dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
Molecular weight
335.464
clogP
2.381
clogS
-4.344
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
56.41
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF02042 | 1-(dihydroxy-λ3-sulfanyl)pyrrolidine |
|
[S](O)(O)N1CCCC1 | 0.0003 |
| FDBF02044 | 5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole |
|
S(=O)(=O)(N1CCCC1)Cc2cc3c([nH]cc3)cc2 | 0.0003 |
| FDBF02045 | 3-methyl-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole |
|
S(=O)(=O)(N1CCCC1)Cc2cc3c([nH]cc3C)cc2 | 0.0003 |
