Desirable Compounds Not Yet Synthesised
SMILES: NC1=C2C(C=C(C3=CC=CC(S(=O)(N)=O)=C3)O2)=NC=N1
InChI=1S/C12H10N4O3S/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)
Significant laboratory efforts were directed towards producing the furanyl analogue of OSM-S-106 (above) - Early discussion of synthetic chemistry, up-to-date Google Doc describing detailed synthetic progress. Update on prgress from July 2020. See also Tha's lab notebook. To date (2023) the compound has not been made.
There was a suggestion that the furan would be less potent if binding to a proposed kinase target, PKA.
NC=1N=CC=C2C1SC(=C2)C=2C=C(C=CC2)S(=O)(=O)N
IPIRNZZMWQZXIW-UHFFFAOYSA-N
The below set of compounds were proposed by Mfernflower based on the similarity of the S3 hit to the natural product ca(r)boxamycin:
A series of "truncated" analogues lacking the sulfonamide were proposed by an joint effort between MFernflower and Tha:
In the course of predictive work performed by Vito Spadaveccio, a number of S3 analogues were predicted as binders for the putative target, CLK1.
...including the "inverted" thienopyrimidine in which the sulfur atom faces south rather than north (and a potentially collaborating group was identified here).
Several compounds were suggested as a result of modeling studies with the potential kinase target PKA.
The Benzoimidazole: InChI=1S/C13H12N4O2S/c14-10-5-2-6-11-12(10)17-13(16-11)8-3-1-4-9(7-8)20(15,18)19/h1-7H,14H2,(H,16,17)(H2,15,18,19) shown at https://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/11
The potency of OSM-S-137 led to calls to make the analog lacking the sulfonamide, see here and here, which has apparently been evaluated previously as TCMDC-132385.