Murcko scaffold
Ring system with 4 rings and 28 atoms
119 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 28
- Chemicals
- 119
- With full pages
- 33
Scaffold SMILES
O=C1CCC2OC2CC2CC(CC=CC=CCc3cccc(c3)N1)NC(=O)O2
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.
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 119 chemicals
Ansamitocin deriv
C31H41ClN2O9
Ansamitocin P 3
CAS 66584-72-3C32H43ClN2O9
Maytansine
CAS 35846-53-8C34H46ClN3O10
Ansamitocin derivative TN-006
CAS 72902-38-6C31H41ClN2O9
Maytenus celestracae (B631179K677)
CAS 62414-95-3C34H45ClN2O11
Maytansine, N2'-deacetyl-15-methoxy-N2'-(2-methyl-1-oxopropyl)-, (10S)-
CAS 88198-82-7C37H52ClN3O11
Maytansine, N2'-deacetyl-22-demethyl-15-methoxy-N2'-(2-methyl-1-oxopropyl)-
C36H50ClN3O11
![[(1S,2R,3S,5S,6S,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate chemical structure, C32H43ClN2O9](/s/WLKHTIAFMSHJLG-PTRRAWDFSA-N.svg)
[(1S,2R,3S,5S,6S,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate
C32H43ClN2O9
Maytanvaline
CAS 52978-27-5C37H52ClN3O10
Maytanbutine
CAS 38997-10-3C36H50ClN3O10
Maytanacine
CAS 57103-69-2C30H39ClN2O9
Maytansine, 2'-de(acetylmethylamino)-
CAS 57103-70-5C31H41ClN2O9
Maytansinol butyrate
CAS 66547-09-9C32H43ClN2O9
32-Normaytansinol
CAS 77353-66-3C27H35ClN2O8
Maytansine, 2'-de(acetylmethylamino)-22-demethyl-2'-methyl-
CAS 77353-69-6C31H41ClN2O9
Maytansinol
CAS 57103-68-1C28H37ClN2O8
N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine
C35H48ClN3O10S
DM1 (Mertansine)
C35H48ClN3O10S
Mertansine
CAS 139504-50-0C35H48ClN3O10S
DM4-Sme
CAS 796073-68-2C39H56ClN3O10S2
Maytansinoid DM3
CAS 796073-54-6C37H52ClN3O10S
Orb3021620
CAS 936481-22-0C35H48ClN3O10S
N2'-(4-((3-Carboxypropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetylmaytansine
CAS 905449-84-5C42H60ClN3O12S2
DM1-Sme
CAS 138148-68-2C36H50ClN3O10S2
- 7 suppliersRavtansine796073-69-3C38H54ClN3O10S
- Maytansine, 2'-de(acetylmethylamino)-22-demethyl-77353-68-5C30H39ClN2O9
- Maytansine, O(sup 3)-de(2-(acetylmethylamino)-1-oxopropyl)-22-demethyl-O(sup 3)-(3-methyl-1-oxobutyl)-77353-70-9C32H43ClN2O9
- (1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1,.0,hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-(N-methyl-4-sulfanylpentanamido)propanoateC37H52ClN3O10S
- DM1-SmeC36H50ClN3O10S2
- Trewiasine78987-26-5C37H52ClN3O11
- Colubrinol50657-33-5C36H50ClN3O11
- 15-Methoxyansamitocin P-3117860-08-9C33H45ClN2O10
- 1 suppliersMaytansinoid DM4799840-96-3C39H56ClN3O10S
- Colubrinol acetate50499-79-1C38H52ClN3O12
- Ansamitocin derivC31H41ClN2O9
- Ansamitocin P-1C30H39ClN2O9
- Maytanprine38997-09-0C35H48ClN3O10
- Maytansine, N(2')-deacetyl-N(2')-(3-methyl-1-oxobutyl)-C37H52ClN3O10
- Dehydrotrewiasine B820915K13878987-27-6C37H50ClN3O11
- Demethyltrewasine78987-28-7C36H50ClN3O11
- Maytansine, N2'-deacetyl-22-demethyl-15-methoxy-N2'-(2-methyl-1-oxopropyl)-88147-94-8C36H50ClN3O11
- Normaytansine75983-74-3C33H44ClN3O10
- Maytansine, O(sup 3)-acetyl-O(sup 3)-de(2-(acetylmethylamino)-1-oxopropyl)-22-demethyl-77353-67-4C29H37ClN2O9
- Maytansinol isovalerate66547-10-2C33H45ClN2O9
- Maytansine, N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-C35H48ClN3O10S
- Ansamitocin P 3'C32H43ClN2O9
- DM-1(Mertansine)C35H48ClN3O10S
- Maytansinoid DM4C39H56ClN3O10S