Submission Details

DAR-DIA-fb20be43
Molecule(s):
CCNc1ncc(F)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-1

CCNc1ncc(F)cc1CN1CCN(C(=O)CCl)CC1

piperazine-chloroacetamide Check Availability on Manifold View
O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

DAR-DIA-fb20be43-2

O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

piperazine-chloroacetamide Check Availability on Manifold View
CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3

CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

piperazine-chloroacetamide Ordered Check Availability on Manifold View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-4

CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

piperazine-chloroacetamide Assayed Check Availability on Manifold View
CCNc1ncc(OC)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-5

CCNc1ncc(OC)cc1CN1CCN(C(=O)CCl)CC1

piperazine-chloroacetamide Ordered Check Availability on Manifold View
N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-6

N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

piperazine-chloroacetamide Assayed Check Availability on Manifold View
COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-7

COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

piperazine-chloroacetamide Assayed Check Availability on Manifold View
O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

DAR-DIA-fb20be43-8

O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

piperazine-chloroacetamide Check Availability on Manifold View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

DAR-DIA-fb20be43-9

NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

piperazine-chloroacetamide Check Availability on Manifold View
CC(=O)NCCC1=CCc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc21

DAR-DIA-fb20be43-10

CC(=O)NCCC1=CCc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc21

piperazine-chloroacetamide Check Availability on Manifold View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

DAR-DIA-fb20be43-11

CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

piperazine-chloroacetamide Check Availability on Manifold View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc2c1

DAR-DIA-fb20be43-12

NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc2c1

piperazine-chloroacetamide Check Availability on Manifold View
COc1cc(CN2CCN(C(=O)CCl)CC2)c2c(c1)C(CCNC(C)=O)=CC2

DAR-DIA-fb20be43-13

COc1cc(CN2CCN(C(=O)CCl)CC2)c2c(c1)C(CCNC(C)=O)=CC2

piperazine-chloroacetamide Check Availability on Manifold View
COc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

DAR-DIA-fb20be43-14

COc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

piperazine-chloroacetamide Check Availability on Manifold View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(Cl)cc12

DAR-DIA-fb20be43-15

CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(Cl)cc12

piperazine-chloroacetamide Check Availability on Manifold View
N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

DAR-DIA-fb20be43-16

N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

piperazine-chloroacetamide Ordered Check Availability on Manifold View
N#Cc1cnc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

DAR-DIA-fb20be43-17

N#Cc1cnc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

piperazine-chloroacetamide Check Availability on Manifold View
COc1cnc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

DAR-DIA-fb20be43-18

COc1cnc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1

piperazine-chloroacetamide Check Availability on Manifold View
Design Rationale:

Merging of x0830 with x0305/x0104 and x0195 to target S1 pocket in addition to Cys145.

Inspired By:
Discussion:

Contributor: Daren Fearon, Diamond Light Source Ltd - Fri, 27 Mar 2020 00:41:59 +0000