3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-D]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile (Q27451710)

CHEMBL2386636 (English)

19 October 2016

chemical formula

C₁₉H₂₃N₅O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

15T

16 February 2021

canonical SMILES

CC(O)C1=NC2=CN=C3NC=CC3=C2N1C4CCC(CCC#N)CC4

1 reference

CHEMBL2386636 (English)

19 October 2016

isomeric SMILES

C[C@@H](O)C1=NC2=CN=C3NC=CC3=C2N1[C@@H]4CC[C@@H](CCC#N)CC4

1 reference

CHEMBL2386636 (English)

InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2386636 (English)

LLRNGFSFYHDPKW-MGPQQGTHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2386636 (English)

19 October 2016

1 reference

3-(trans-4-{2-[(1R)-1-Hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile (English)

19 October 2016

1 reference

CHEMBL2386636 (English)

19 October 2016

0 references

1 reference

4IVD (English)