AZD-1092

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26N4O5
Molecular Weight	450.487
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](CO)OC1=CC(=CC(OC2=CC=C(C=C2)C(=O)N3CCC3)=C1)C(=O)NC4=NN(C)C=C4

InChI

InChIKey=KNTJSHYACOBPAA-INIZCTEOSA-N

InChI=1S/C24H26N4O5/c1-16(15-29)32-20-12-18(23(30)25-22-8-11-27(2)26-22)13-21(14-20)33-19-6-4-17(5-7-19)24(31)28-9-3-10-28/h4-8,11-14,16,29H,3,9-10,15H2,1-2H3,(H,25,26,30)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H26N4O5
Molecular Weight	450.487
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:38 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:38 GMT 2023`
Record UNII	WVG4BZB398
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AZD-1092

Code

English

3-((4-((AZETIDIN-1-YL)CARBONYL)PHENYL)OXY)-5-(((1S)-2-HYDROXY-1-METHYLETHYL)OXY)-N-(1-METHYL-1H-PYRAZOL-3-YL)BENZAMIDE

Systematic Name

English

BENZAMIDE, 3-(4-(1-AZETIDINYLCARBONYL)PHENOXY)-5-((1S)-2-HYDROXY-1-METHYLETHOXY)-N-(1-METHYL-1H-PYRAZOL-3-YL)-

Systematic Name

English

GKA-80

Code

English

AZD1092

Code

English

Code System Code Type Description

FDA UNII

WVG4BZB398

Created by admin on Sat Dec 16 11:32:38 GMT 2023 , Edited by admin on Sat Dec 16 11:32:38 GMT 2023

PRIMARY

PUBCHEM

11604824

Created by admin on Sat Dec 16 11:32:38 GMT 2023 , Edited by admin on Sat Dec 16 11:32:38 GMT 2023

PRIMARY

CAS

871656-65-4

Created by admin on Sat Dec 16 11:32:38 GMT 2023 , Edited by admin on Sat Dec 16 11:32:38 GMT 2023

PRIMARY

Related Record Type Details


					WVG4BZB398

AZD-1092

ACTIVE MOIETY

Comments:

Values for AZD1092: EC50/.MU.M = 0.031; Solubility/.MU.M = 350; Caco-2 Papp = 1.8; nAUC (r) = 1.0; Log D = 1.8


					WVG4BZB398

AZD-1092

ACTIVE MOIETY

Comments:

Values for AZD1092: GK EC50/mM = 0.03; LogD = 1.8; Solubility/mM = 350; Caco-2 A to B Papp/nm s1 = 18; hERG IC50/mM = 70; Rat Cl/mL min1 kg1 = 14; Rat Vss/L kg1 = 1.8; Rat F (%) = 30; Dog Cl/mL min1 kg1 = 14; Dog Vss/L kg1 = 1.3; Dog F (%) = 51; Rat OGTT activity = 24% at 3 mg kg1