BIA-3-335 FREE BASE

OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Condition	Potency
Glycogen synthase kinase-3 3 Target ID: CHEMBL2095188 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14761195	Inhibitor 8297		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	15566291
Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases.	2004 Feb 12	14761195

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:27:32 GMT 2023` Edited by `admin` on `Sat Dec 16 09:27:32 GMT 2023`
Record UNII	X6H65DT067
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

BIA-3-335 FREE BASE

Common Name

English

1-PROPANONE, 1-(3,4-DIHYDROXY-5-NITROPHENYL)-3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

4369285

Created by admin on Sat Dec 16 09:27:32 GMT 2023 , Edited by admin on Sat Dec 16 09:27:32 GMT 2023

PRIMARY

FDA UNII

X6H65DT067

Created by admin on Sat Dec 16 09:27:32 GMT 2023 , Edited by admin on Sat Dec 16 09:27:32 GMT 2023

PRIMARY

DRUG BANK

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

PRIMARY

CAS

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

PRIMARY

Related Record Type Details


					X6H65DT067

ACTIVE MOIETY