EcoDrugPlus


Synonyms	Teglarinad cation Teglarinad ion
Status
Molecule Category	Free-form
UNII	NUG9P5GWZB

Synonyms

Teglarinad cation

Teglarinad ion

Status

Molecule Category

Free-form

UNII

NUG9P5GWZB


InChI Key	RXXJCNMVVRGOJB-UHFFFAOYSA-O
Smiles	COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/CCCCCCOc2ccc(Cl)cc2)NC#N)cc1
InChI	InChI=1S/C30H42ClN5O8/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34)/p+1

InChI Key

RXXJCNMVVRGOJB-UHFFFAOYSA-O

Smiles

COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/CCCCCCOc2ccc(Cl)cc2)NC#N)cc1

InChI

InChI=1S/C30H42ClN5O8/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34)/p+1

Property Name	Value
Molecular Formula	C30H43ClN5O8+
Molecular Weight	637.15
AlogP	3.91
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	23.0
Polar Surface Area	145.77
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	44.0

Property Name

Value

Molecular Formula

C30H43ClN5O8+

Molecular Weight

637.15

AlogP

3.91

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

23.0

Polar Surface Area

145.77

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

44.0

Resources	Reference
ChEMBL	CHEMBL1181731
FDA SRS	NUG9P5GWZB
PubChem	9961435
SureChEMBL	SCHEMBL17074712
ZINC	ZINC000003961863

Resources

Reference

ChEMBL

FDA SRS

PubChem

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

TEGLARINAD

Structure

Physicochemical Descriptors

Cross References