MK-0777

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22FN7O
Molecular Weight	395.4334
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MK-0777

Structure Search

SMILES

CCN1N=CN=C1COC2=NN3C(C=C2C(C)(C)C)=NN=C3C4=CC=CC=C4F

InChI

InChIKey=QKIWQBLNTSQOLY-UHFFFAOYSA-N

InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C20H22FN7O
Molecular Weight	395.4334
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 15:30:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:30:51 UTC 2023`
Record UNII	1FI3KTC550
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-0777

Common Name

English

7-(1,1-DIMETHYLETHYL)-(6-(1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1,2,4-TRIAZOLO(4,3-B)PYRAZINE

Common Name

English

1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE, 7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-

Systematic Name

English

TPA023

Code

English

MK0777

Code

English

TPA-023

Code

English

Code System Code Type Description

WIKIPEDIA

TPA-023

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

PUBCHEM

9908684

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

DRUG BANK

DB12238

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

CAS

252977-51-8

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

EPA CompTox

DTXSID10179938

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

FDA UNII

1FI3KTC550

Created by admin on Fri Dec 15 15:30:52 UTC 2023 , Edited by admin on Fri Dec 15 15:30:52 UTC 2023

PRIMARY

Related Record Type Details


					RU3465V8V1

TARGET -> AGONIST


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					85MCW2Z6ES

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					V26KUX597Z

6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					02X1GF8X88

7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					02X1GF8X88

7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM

METABOLITE -> PARENT

Qualification:

PLASMA


					XTQ2HC7BIB

3-(2-FLUOROPHENYL)-.BETA.,.BETA.-DIMETHYL-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ETHANOL

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					ZK7P16BAX4

(2S,3S,4S,5R,6R)-6-(7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-(1,2,4)TRIAZOLO(4,3-B)PYRIDAZIN-1-IUM-1-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT


					V26KUX597Z

6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					85MCW2Z6ES

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					O1H5QP7RNB

7-(1,1-DIMETHYLETHYL)-3-(2-FLUOROPHENYL)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6(5H)-ONE

METABOLITE -> PARENT


					85MCW2Z6ES

METABOLITE -> PARENT

Qualification:

PLASMA


					MK9BPI11IH

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					RHY9G8D52N

.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(5-(((7-(1,1-DIMETHYLETHYL)-3-(2-FLUOROPHENYL)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-YL)OXY)METHYL)-1H-1,2,4-TRIAZOL-1-YL)-

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					MK9BPI11IH

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					XTQ2HC7BIB

3-(2-FLUOROPHENYL)-.BETA.,.BETA.-DIMETHYL-6-(1H-1,2,4-TRIAZOL-5-YLMETHOXY)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ETHANOL

METABOLITE -> PARENT

Qualification:

URINE

Amount:

Related Record Type Details


					1FI3KTC550

MK-0777

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				SINGLE DOSE ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE