Submission Details

DAR-DIA-6a508060
Molecule(s):
O=C(Cc1cncc2ccccc12)C1CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-1

O=C(Cc1cncc2ccccc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Oc1cncc2ccccc12)C1CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-2

O=C(Oc1cncc2ccccc12)C1CCOc2ccc(Cl)cc21

N#Cc1ccc2c(c1)C(C(=O)Nc1cncc3ccccc13)CCO2

DAR-DIA-6a508060-3

N#Cc1ccc2c(c1)C(C(=O)Nc1cncc3ccccc13)CCO2

3-aminopyridine-like Check Availability on Manifold View
COc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12

DAR-DIA-6a508060-4

COc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C1CC(Cc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)N1

DAR-DIA-6a508060-5

O=C1CC(Cc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)N1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-6
Duplicate of:
BRU-CON-c4e3408a-1

Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(NC1N=Nc2ccccc21)C1CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-7

O=C(NC1N=Nc2ccccc21)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CCOc2ccc(C3CC3)cc21

DAR-DIA-6a508060-8

O=C(Nc1cncc2ccccc12)C1CCOc2ccc(C3CC3)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CCC2CCCCC2)CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-9

O=C(Nc1cncc2ccccc12)C1(CCC2CCCCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-10

CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-11

O=C(Nc1cncc2ccccc12)C1CC(C2CC2Cl)C1

Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-12

Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

CS(=O)(=O)NCCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

DAR-DIA-6a508060-13

CS(=O)(=O)NCCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
Cc1cc(CN(C)C(=O)C2CCOc3ccc(Cl)cc32)no1

DAR-DIA-6a508060-14

Cc1cc(CN(C)C(=O)C2CCOc3ccc(Cl)cc32)no1

Cc1cc(CN(C)C(=O)C2CCOc3ccc(Cl)cc32)on1

DAR-DIA-6a508060-15

Cc1cc(CN(C)C(=O)C2CCOc3ccc(Cl)cc32)on1

Cc1cc(CN(C(=O)CC2CC2)C(=O)C2CCOc3ccc(Cl)cc32)no1

DAR-DIA-6a508060-16

Cc1cc(CN(C(=O)CC2CC2)C(=O)C2CCOc3ccc(Cl)cc32)no1

Design Rationale:

Based on VLA-UCB-1dbca3b4-15 with other commonly observed motifs in S1 and S2 from X-ray structures.

Inspired By:
Discussion:

Contributor: Daren Fearon, Diamond Light Source Ltd - Fri, 18 Sep 2020 00:07:06 +0000