IBD Research Resource Center

BioID	bio2714
Name	FROVATRIPTAN SUCCINATE
ChEMBL ID	CHEMBL2138684
Molecular Formula	C18H25N3O6
Molecular Weight	379.41
Molecular Weight (Monoisotopic)	243.1372
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	FROVA\|FROVATRIPTAN SUCCINATE\|FROVATRIPTAN SUCCINATE HYDRATE\|FROVELAN\|MIGUARD\|NSC-760422\|SB 209509 AX\|SB 209509-AX\|SB-209509-AX\|SB-209509AX\|VML 251\|VML-251
Smiles	CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O
Inchi	InChI=1S/C14H17N3O.C4H6O4.H2O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8);1H2/t9-;;/m1../s1
Inchi Key	CUETXFMONOSVJA-KLQYNRQASA-N
Molecular Species	BASE
Targets	69.0
Bioactivities	113.0
Np Likeness Score	-0.45
Records Key	['SID124894597', 'SID144207155', 'FROVATRIPTAN', 'FROVATRIPTAN SUCCINATE', 'frovatriptan', 'frovatriptan', 'FROVATRIPTAN SUCCINATE', 'EUB0000942aSue', 'EUB0000942aSue', 'EUB0000942aSue', 'EUB0000942aSue', 'EUB0000942aSue', 'EUB0000942aSue']
Records Name	['SID124894597', 'SID144207155', 'FROVATRIPTAN', 'FROVATRIPTAN SUCCINATE', 'frovatriptan', 'frovatriptan', 'FROVATRIPTAN SUCCINATE', 'Frovatriptan', 'Frovatriptan', 'Frovatriptan', 'Frovatriptan', 'Frovatriptan', 'Frovatriptan']
Withdrawn Flag	False
Orphan	0