U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of BILR-355

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

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:40 GMT 2023
Edited
by admin
on Fri Dec 15 15:56:40 GMT 2023
Record UNII
V7T28EEE1C
Record Status Validated (UNII)
Record Version
  • Download
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
Code System Code Type Description
CAS
380378-81-4
Created by admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
PRIMARY
FDA UNII
V7T28EEE1C
Created by admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
PRIMARY
PUBCHEM
3010663
Created by admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID30191455
Created by admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
TARGET ORGANISM->INHIBITOR
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 .
Related Record Type Details
Structure of BI-211136
METABOLITE -> PARENT
IN VITRO
Structure of BI-212580
METABOLITE -> PARENT
IN VITRO
Structure of BIRK-122
METABOLITE -> PARENT
IN VITRO
Structure of 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
IN VITRO
Structure of BILR-564
METABOLITE -> PARENT
IN VITRO
Structure of INLA-1678
METABOLITE -> PARENT
IN VITRO
Structure of INRF-105
METABOLITE -> PARENT
IN VITRO
Structure of BI-212578
METABOLITE -> PARENT
IN VITRO
Structure of 11-ETHYL-5,11-DIHYDRO-8-(2-HYDROXYETHYL)-6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE
METABOLITE -> PARENT
IN VITRO
Structure of EXLS-1451
METABOLITE -> PARENT
IN VITRO
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(8-(2-((1,2-DIHYDRO-2-OXO-4-QUINOLINYL)OXY)ETHYL)-5,6-DIHYDRO-5-METHYL-6-OXO-11H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-11-YL)ETHYL
METABOLITE -> PARENT
IN VITRO
Structure of 4-(2-(11-(2-(((2R,3R,4S,5S,6S)-6-CARBOXY-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)-5-METHYL-6-OXO-6,11-DIHYDRO-5H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-8-YL)ETHOXY)QUINOLINE 1-OXIDE
METABOLITE -> PARENT
IN VITRO
Structure of BILR-516
METABOLITE -> PARENT
IN-VIVO
Scientific Literature
Related Record Type Details
Structure of BILR-355
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

Tmax PHARMACOKINETIC ORAL ADMINISTRATION

SINGLE DOSE

NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966