BILR-355

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H23N5O3
Molecular Weight	441.4818
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCN1C2=NC=CC=C2N(C)C(=O)C3=C1N=CC(CCOC4=CC=[N+]([O-])C5=CC=CC=C45)=C3

InChI

InChIKey=BEMBRAMZGVDPMH-UHFFFAOYSA-N

InChI=1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C25H23N5O3
Molecular Weight	441.4818
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	V7T28EEE1C
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

BILR-355

Common Name

English

6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, 11-ETHYL-5,11-DIHYDRO-5-METHYL-8-(2-((1-OXIDO-4-QUINOLINYL)OXY)ETHYL)-

Systematic Name

English

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Code System

Code

Type

Description

CAS

380378-81-4

PRIMARY

FDA UNII

V7T28EEE1C

PRIMARY

PUBCHEM

3010663

PRIMARY

EPA CompTox

DTXSID30191455

PRIMARY

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					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					859A956UY8

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1

TARGET ORGANISM->INHIBITOR

Comments:

The in vitro results showed that the EC50 of BILR 355 was 0.26 ng/ml (0.59 nM) against wild-type HIV-1 and ranged from 1.5 to 13 ng/ml (3.4 –29 nM) against clinically common single and double NNRTI mutations .

Amount:

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BI-211136

METABOLITE -> PARENT

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IN VITRO


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BI-212580

METABOLITE -> PARENT

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IN VITRO


					C87129B63N

BIRK-122

METABOLITE -> PARENT

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					1XNQ7Z4FOO

6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, 5,11-DIHYDRO-11-(2-HYDROXYETHYL)-5-METHYL-8-(2-((1-OXIDO-4-QUINOLINYL)OXY)ETHYL)-

METABOLITE -> PARENT

Comments:

IN VITRO


					6B3VGS0GVY

BILR-564

METABOLITE -> PARENT

Comments:

IN VITRO

Showing 1 to 5 of 13 entries

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Type

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					V7T28EEE1C

BILR-355

ACTIVE MOIETY

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Name	Property Type	Amount	Parameters
Biological Half-life	PHARMACOKINETIC	[2 to 4] hours (average)	ORAL ADMINISTRATION

Tmax	PHARMACOKINETIC	[0.5 to 1.5] hours (average)	ORAL ADMINISTRATION SINGLE DOSE