EcoDrugPlus


Synonyms	Bilr 355
Status
Molecule Category	Free-form
UNII	V7T28EEE1C
EPA CompTox	DTXSID30191455

Synonyms

Bilr 355

Status

Molecule Category

Free-form

UNII

V7T28EEE1C

EPA CompTox

DTXSID30191455


InChI Key	BEMBRAMZGVDPMH-UHFFFAOYSA-N
Smiles	CCN1c2ncc(CCOc3cc[n+]([O-])c4ccccc34)cc2C(=O)N(C)c2cccnc21
InChI	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

InChI Key

BEMBRAMZGVDPMH-UHFFFAOYSA-N

Smiles

CCN1c2ncc(CCOc3cc[n+]([O-])c4ccccc34)cc2C(=O)N(C)c2cccnc21

InChI

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

Property Name	Value
Molecular Formula	C25H23N5O3
Molecular Weight	441.49
AlogP	3.63
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	85.5
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C25H23N5O3

Molecular Weight

441.49

AlogP

3.63

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

85.5

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

33.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

INHIBITOR

PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	17	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus	-	17	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Human immunodeficiency virus

Resources	Reference
ChEMBL	CHEMBL1630842
FDA SRS	V7T28EEE1C
SureChEMBL	SCHEMBL5080040
ZINC	ZINC000000593585

Resources

Reference

ChEMBL

FDA SRS

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BILR 355

Structure

Physicochemical Descriptors

Pharmacology

Cross References