AMG-487

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28F3N5O4
Molecular Weight	603.591
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMG-487

Structure Search

SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CN=C3N=C2[C@@H](C)N(CC4=CC=CN=C4)C(=O)CC5=CC=C(OC(F)(F)F)C=C5

InChI

InChIKey=WQTKNBPCJKRYPA-OAQYLSRUSA-N

InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H28F3N5O4
Molecular Weight	603.591
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 08:36:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:36:22 UTC 2023`
Record UNII	355CGR2CBL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMG-487

Common Name

English

BENZENEACETAMIDE, N-((1R)-1-(3-(4-ETHOXYPHENYL)-3,4-DIHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-(3-PYRIDINYLMETHYL)-4-(TRIFLUOROMETHOXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

355CGR2CBL

Created by admin on Sat Dec 16 08:36:23 UTC 2023 , Edited by admin on Sat Dec 16 08:36:23 UTC 2023

PRIMARY

EPA CompTox

DTXSID501025828

Created by admin on Sat Dec 16 08:36:23 UTC 2023 , Edited by admin on Sat Dec 16 08:36:23 UTC 2023

PRIMARY

CAS

473719-41-4

Created by admin on Sat Dec 16 08:36:23 UTC 2023 , Edited by admin on Sat Dec 16 08:36:23 UTC 2023

PRIMARY

PUBCHEM

24957182

Created by admin on Sat Dec 16 08:36:23 UTC 2023 , Edited by admin on Sat Dec 16 08:36:23 UTC 2023

PRIMARY

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C-X-C CHEMOKINE RECEPTOR TYPE 3

TARGET -> INHIBITOR

Comments:

CXCL-10 I-125 BINDING IN PBMC CELLS

Interaction Type:

ANTAGONIST

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Comments:

Quinone Reactive Metabolites Covalently Modify CYP3A4 Cys239 and Cause Time-Dependent Inhibition of the Enzyme

Interaction Type:

TIME-DEPENDENT INHIBITION

Related Record Type Details


					D70B5M4MT5

N-((1R)-1-(3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE

METABOLITE -> PARENT


					FN2HYI3FM5

N-((1R)-1-(3-(4-ETHOXYPHENYL)-3,4-DIHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE

METABOLITE -> PARENT


					4V0EBS1I32

N-((1R)-1-(3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-(3-PYRIDINYLMETHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE

METABOLITE -> PARENT

Related Record Type Details


					355CGR2CBL

AMG-487

ACTIVE MOIETY