LY-2090314

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H25FN6O3
Molecular Weight	512.5349
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LY-2090314

Structure Search

SMILES

FC1=CC2=C3N(CCN(C2)C(=O)N4CCCCC4)C=C(C3=C1)C5=C(C(=O)NC5=O)C6=CN=C7C=CC=CN67

InChI

InChIKey=HRJWTAWVFDCTGO-UHFFFAOYSA-N

InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)

HIDE SMILES / InChI

Molecular Formula	C28H25FN6O3
Molecular Weight	512.5349
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:59:48 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:48 UTC 2023`
Record UNII	822M3GYM67
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LY-2090314

Code

English

LY2090314

Code

English

LY 2090314 [WHO-DD]

Common Name

English

1H-PYRROLE-2,5-DIONE, 3-(9-FLUORO-1,2,3,4-TETRAHYDRO-2-(1-PIPERIDINYLCARBONYL)PYRROLO(3,2,1-JK)(1,4)BENZODIAZEPIN-7-YL)-4-IMIDAZO(1,2-A)PYRIDIN-3-YL-

Systematic Name

English

PYRROLO(3,2,1-JK)(1,4)BENZODIAZEPINE, 7-(2,5-DIHYDRO-4-IMIDAZO(1,2-A)PYRIDIN-3-YL-2,5-DIOXO-1H-PYRROL-3-YL)-9-FLUORO-1,2,3,4-TETRAHYDRO-2-(1-PIPERIDINYLCARBONYL)-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C116849

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID90209085

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

DRUG BANK

DB11913

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

SMS_ID

100000175593

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

FDA UNII

822M3GYM67

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

ChEMBL

CHEMBL362558

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

CHEBI

167661

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

PUBCHEM

10029385

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

CAS

603288-22-8

Created by admin on Fri Dec 15 15:59:48 UTC 2023 , Edited by admin on Fri Dec 15 15:59:48 UTC 2023

PRIMARY

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LY-2090314 ETHANOL SOLVATE

SOLVATE->ANHYDROUS


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GLYCOGEN SYNTHASE KINASE-3 BETA

INHIBITOR -> TARGET

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					R46MF2V8IP

GLYCOGEN SYNTHASE KINASE-3 ALPHA

INHIBITOR -> TARGET

Interaction Type:

BINDING

Qualification:

IC50

Amount:

Related Record Type Details


					822M3GYM67

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION

Tmax	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION