CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 18 atoms

56 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
56
With full pages
10
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(Nc3ccccc3)nc2[nH]1

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.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2[nH]c(Nc3ccccc3)nc2[nH]1

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 48 of 56 chemicals

Theophylline, 8-(o-chloroanilino)- chemical structure, C13H12ClN5O2, CAS 5429-34-5
Theophylline, 8-(o-chloroanilino)-
CAS 5429-34-5C13H12ClN5O2
Theophylline, 8-(p-chloroanilino)- chemical structure, C13H12ClN5O2, CAS 5434-62-8
Theophylline, 8-(p-chloroanilino)-
CAS 5434-62-8C13H12ClN5O2
8-[(2,5-Dichlorophenyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H11Cl2N5O2, CAS 5429-32-3
8-[(2,5-Dichlorophenyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 5429-32-3C13H11Cl2N5O2
8-Anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H13N5O2, CAS 61034-15-9
8-Anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 61034-15-9C13H13N5O2
8-((4-Methoxyphenyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H15N5O3, CAS 160088-43-7
8-((4-Methoxyphenyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 160088-43-7C14H15N5O3
7-(2,3-Dihydroxypropyl)-1,3-DI-ME-8-(3-toluidino)3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H21N5O4, CAS 476481-67-1
7-(2,3-Dihydroxypropyl)-1,3-DI-ME-8-(3-toluidino)3,7-dihydro-1H-purine-2,6-dione
CAS 476481-67-1C17H21N5O4
7-(3-CL-2-Butenyl)-1,3-dimethyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20ClN5O2, CAS 478253-17-7
7-(3-CL-2-Butenyl)-1,3-dimethyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione
CAS 478253-17-7C18H20ClN5O2
3-Methyl-8-p-tolylamino-3,7-dihydro-purine-2,6-dione chemical structure, C13H13N5O2, CAS 299419-51-5
3-Methyl-8-p-tolylamino-3,7-dihydro-purine-2,6-dione
CAS 299419-51-5C13H13N5O2
8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H15N5O3, CAS 115294-88-7
8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 115294-88-7C14H15N5O3
7-(2-Hydroxyethyl)-3-methyl-8-(4-toluidino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H17N5O3, CAS 476481-65-9
7-(2-Hydroxyethyl)-3-methyl-8-(4-toluidino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-65-9C15H17N5O3
1,3-Dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione chemical structure, C14H15N5O2, CAS 63351-31-5
1,3-Dimethyl-8-(p-tolylamino)-1H-purine-2,6(3H,7H)-dione
CAS 63351-31-5C14H15N5O2
7-(2-Hydroxyethyl)-3-methyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H17N5O3, CAS 476481-66-0
7-(2-Hydroxyethyl)-3-methyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-66-0C15H17N5O3
7-(3-CL-2-Butenyl)-1,3-dimethyl-8-(4-toluidino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20ClN5O2, CAS 478253-13-3
7-(3-CL-2-Butenyl)-1,3-dimethyl-8-(4-toluidino)-3,7-dihydro-1H-purine-2,6-dione
CAS 478253-13-3C18H20ClN5O2
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-8-(phenylimino)-3,7,8,9-tetrahydro-1H-purine-2,6-dione chemical structure, C16H19N5O4, CAS 78960-47-1
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-8-(phenylimino)-3,7,8,9-tetrahydro-1H-purine-2,6-dione
CAS 78960-47-1C16H19N5O4
2-(3-Methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C14H13N5O4, CAS 107608-74-2
2-(3-Methyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 107608-74-2C14H13N5O4
8-Anilino-7-(3-chloro-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H18ClN5O2, CAS 478253-09-7
8-Anilino-7-(3-chloro-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 478253-09-7C17H18ClN5O2
3,9-Dihydro-1,3-dimethyl-8-[(3-methylphenyl)amino]-1H-purine-2,6-dione chemical structure, C14H15N5O2, CAS 61034-16-0
3,9-Dihydro-1,3-dimethyl-8-[(3-methylphenyl)amino]-1H-purine-2,6-dione
CAS 61034-16-0C14H15N5O2
8-((4-Ethoxyphenyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H15N5O3, CAS 879071-26-8
8-((4-Ethoxyphenyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 879071-26-8C14H15N5O3
2-(1,3-Dimethyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C15H15N5O4, CAS 61034-19-3
2-(1,3-Dimethyl-2,6-dioxo-8-(phenylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 61034-19-3C15H15N5O4
Methyl 2-{3-methyl-8-[(4-methylphenyl)amino]-2,6-dioxo-1,3,7-trihydropurin-7-y l}acetate chemical structure, C16H17N5O4, CAS 887888-77-9
Methyl 2-{3-methyl-8-[(4-methylphenyl)amino]-2,6-dioxo-1,3,7-trihydropurin-7-y l}acetate
CAS 887888-77-9C16H17N5O4
Methyl 2-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate chemical structure, C17H19N5O5, CAS 887888-71-3
Methyl 2-(8-((4-ethoxyphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
CAS 887888-71-3C17H19N5O5
2-(3-Methyl-2,6-dioxo-8-(o-tolylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C15H15N5O4, CAS 946212-31-3
2-(3-Methyl-2,6-dioxo-8-(o-tolylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 946212-31-3C15H15N5O4
2-(8-((2,3-Dimethylphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C16H17N5O4, CAS 946272-82-8
2-(8-((2,3-Dimethylphenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 946272-82-8C16H17N5O4
2-(8-((2-Fluorophenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C14H12FN5O4, CAS 946272-86-2
2-(8-((2-Fluorophenyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 946272-86-2C14H12FN5O4