EcoDrugPlus


Synonyms	Lmp-744 Lmp744 MJ-III-65 NSC-706743 NSC-706744 Topoisomerase-1 inhibitor lmp744
Status
Molecule Category	Free-form
UNII	29BY7HQV0T
EPA CompTox	DTXSID30327954

Synonyms

Lmp-744

Lmp744

MJ-III-65

NSC-706743

NSC-706744

Topoisomerase-1 inhibitor lmp744

Status

Molecule Category

Free-form

UNII

29BY7HQV0T

EPA CompTox

DTXSID30327954


InChI Key	QCSDJDQOJBQTDV-UHFFFAOYSA-N
Smiles	COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2
InChI	InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3

InChI Key

QCSDJDQOJBQTDV-UHFFFAOYSA-N

Smiles

COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2

InChI

InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3

Property Name	Value
Molecular Formula	C24H24N2O7
Molecular Weight	452.46
AlogP	1.93
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	108.25
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C24H24N2O7

Molecular Weight

452.46

AlogP

1.93

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

108.25

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

33.0

Resources	Reference
ChEMBL	CHEMBL126159
FDA SRS	29BY7HQV0T
PubChem	397888
SureChEMBL	SCHEMBL4162998
ZINC	ZINC000001656709

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

LMP-744

Structure

Physicochemical Descriptors

Cross References