(Q21547222)

TANZISERTIB (English)

4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₃F₃N₆O₂

1 reference

RCSB protein data bank

PDB ligand ID

KBI

16 February 2021

canonical SMILES

C1=C(C(=C(C=C1F)F)NC=2N(C3=NC(=NC=C3N2)NC4CCC(CC4)O)C5COCC5)F

1 reference

tanzisertib (English)

20 November 2016

isomeric SMILES

C1=C(C(=C(C=C1F)F)NC=2N(C3=NC(=NC=C3N2)N[C@H]4CC[C@@H](CC4)O)[C@@H]5COCC5)F

1 reference

tanzisertib (English)

physically interacts with

20 November 2016

Mitogen-activated protein kinase 8

subject has role

reaction inhibitor

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL1950289

14 August 2023

reference URL

Identifiers

InChI

InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1

1 reference

tanzisertib (English)

20 November 2016

1 reference

tanzisertib (English)

20 November 2016

1 reference

tanzisertib (English)

20 November 2016

1 reference

Tanzisertib (English)

20 November 2016

1 reference

TANZISERTIB (English)

20 November 2016

2 references

inferred from InChIKey

DSSTox substance ID

DTXSID901026042

1 reference

Guide to Pharmacology Ligand ID

9836

0 references

DrugBank ID

DB11798

1 reference

2 references

tanzisertib (English)

20 November 2016

0 references

0 references

1 reference

3TTI (English)