Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H20F3N3O5 |
Molecular Weight | 439.3851 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChIKey=KVIVJQWOYSWCCZ-UHFFFAOYSA-N
InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2095188 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14761195 |
10.0 nM [IC50] |
PubMed
Title | Date | PubMed |
---|---|---|
Synthesis, biological evaluation, and molecular modeling studies of a novel, peripherally selective inhibitor of catechol-O-methyltransferase. | 2004 Dec 2 |
|
Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases. | 2004 Feb 12 |
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4369285
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X6H65DT067
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DB03336
Created by
admin on Sat Dec 16 09:27:32 GMT 2023 , Edited by admin on Sat Dec 16 09:27:32 GMT 2023
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747401-28-1
Created by
admin on Sat Dec 16 09:27:32 GMT 2023 , Edited by admin on Sat Dec 16 09:27:32 GMT 2023
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ACTIVE MOIETY