Murcko scaffold
5-((Pyrrolidin-1-ylsulfonyl)methyl)-1H-indole scaffold
24 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 18
- Chemicals
- 24
- With full pages
- 2
Scaffold SMILES
O=S(=O)(Cc1ccc2[nH]ccc2c1)N1CCCC1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=S(=O)(Cc1ccc2[nH]ccc2c1)N1CCCC1](/scaffold/NZZWRPBNTGXXCA-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 24 of 24 chemicals
Almotriptan
CAS 154323-57-6C17H25N3O2S
Almotriptan malate
CAS 181183-52-8C21H31N3O7S
Didesmethyl almotriptan
CAS 181178-24-5C15H21N3O2S
![3-[2-(Dimethylamino)ethyl]-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indole-2-carboxylic acid chemical structure, C18H25N3O4S, CAS 154323-59-8](/s/DPNOUXJERSIDDG-UHFFFAOYSA-N.svg)
3-[2-(Dimethylamino)ethyl]-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indole-2-carboxylic acid
CAS 154323-59-8C18H25N3O4S
Almotriptan hydrochloride
CAS 154323-46-3C17H26ClN3O2S
![5-[(1-Pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine Ethanedioate (1:1) chemical structure, C17H23N3O6S, CAS 1018676-03-3](/s/IUJGCTDCBPYLAM-UHFFFAOYSA-N.svg)
5-[(1-Pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine Ethanedioate (1:1)
CAS 1018676-03-3C17H23N3O6S
2-Hydroxyalmotriptan
CAS 1309457-19-9C17H25N3O3S
![2-{5-[(Pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethan-1-ol chemical structure, C15H20N2O3S, CAS 334981-30-5](/s/HBTBLRIOIFJAJP-UHFFFAOYSA-N.svg)
2-{5-[(Pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethan-1-ol
CAS 334981-30-5C15H20N2O3S
![[3-[2-(Dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)indol-1-yl]methanol chemical structure, C18H27N3O3S, CAS 1018676-02-2](/s/KOCKDRPYMWRIJL-UHFFFAOYSA-N.svg)
[3-[2-(Dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)indol-1-yl]methanol
CAS 1018676-02-2C18H27N3O3S
![5-[(1-Pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine (2E)-2-butenedioate chemical structure, C19H25N3O6S](/s/AQTJPLUPULOLSY-WLHGVMLRSA-N.svg)
5-[(1-Pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine (2E)-2-butenedioate
C19H25N3O6S
Almotriptan-d6 hydrochloride
CAS 1794782-57-2C17H26ClN3O2S
Almotriptan N-oxide hydrochloride
CAS 1391054-49-1C17H26ClN3O3S
Almotriptan impurity H
CAS 1391053-74-9C17H25N3O2S
N-Methyl-5-((1-pyrrolidinylsulfonyl)methyl)-1H-indole-3-ethanamine
CAS 334981-12-3C16H23N3O2S
N-Desmethyl almotriptan-d3
CAS 1346604-71-4C16H23N3O2S
Didesmethyl almotriptan-d4
CAS 1346604-75-8C15H21N3O2S
N-Desmethyl almotriptan oxalic acid
CAS 334981-35-0C18H25N3O6S
5-((Pyrrolidin-1-ylsulfonyl)methyl)-1H-indole
CAS 1599442-14-4C13H16N2O2S
1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)-2-pyrrolidinol
CAS 603137-42-4C17H25N3O3S
2-(5-((Pyrrolidin-1-ylsulfonyl)methyl)-1H-indol-3-yl)ethanamine 2,2,2-trifluoroacetate
CAS 2708284-19-7C17H20F3N3O4S
Didesmethyl almotriptan hemifumarate
CAS 1246860-65-0C34H46N6O8S2
Isopropyl almotriptan
CAS 2749821-93-8C19H29N3O2S
N-Desmethyl almotriptan hydrochloride
CAS 154323-50-9C16H24ClN3O2S
Almotriptan malate N-oxide
CAS 1189348-94-4C21H31N3O8S
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(Nc1nncs1)c1ccc2c(c1)OCO213 chemicals
O=C(CN1CCCC1)c1ccc2c(c1)OCO27 chemicals
O=C(NC1CCS(=O)(=O)C1)c1ccc2c(c1)OCO25 chemicals
O=C(Oc1ccc2occc2c1)c1ccco15 chemicals
O=C(Nc1nccs1)c1ccc2c(c1)C(=O)NC2=O5 chemicals
O=C(Nc1nccs1)c1ccc2c(c1)OCO25 chemicals
O=C(Nc1ccc2ncsc2c1)c1ccco14 chemicals
O=C(Oc1ccc2occc2c1)c1cccs14 chemicals
O=C(Nc1ccc2c(c1)OCO2)c1ccco14 chemicals
O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccco13 chemicals
O=C(Nc1nccs1)c1ccc2ncsc2c13 chemicals
c1cc(COc2ccc3occc3c2)co13 chemicals