EcoDrugPlus


Synonyms	USL311 Usl 311 Usl-311 Usl311
Status
Molecule Category	Free-form
UNII	2BTG5MX2Q2

Synonyms

USL311

Usl 311

Usl-311

Usl311

Status

Molecule Category

Free-form

UNII

2BTG5MX2Q2


InChI Key	XNUNVQKARNSSEO-UHFFFAOYSA-N
Smiles	CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
InChI	InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)

InChI Key

XNUNVQKARNSSEO-UHFFFAOYSA-N

Smiles

CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1

InChI

InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)

Property Name	Value
Molecular Formula	C24H34N6O
Molecular Weight	422.58
AlogP	3.11
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	64.6
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C24H34N6O

Molecular Weight

422.58

AlogP

3.11

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

64.6

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

31.0

Resources	Reference
ChEMBL	CHEMBL4297449
DrugBank	DB15265
FDA SRS	2BTG5MX2Q2
SureChEMBL	SCHEMBL15347153

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

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

USL-311

Structure

Physicochemical Descriptors

Cross References