Details of the Drug

General Information of Drug (ID: DMUCQYW)

Drug Name

LMP744

Synonyms

LMP-744; 308246-52-8; MJ-III-65; LMP744 free base; UNII-29BY7HQV0T; NSC-706744; 29BY7HQV0T; NCI60_037977; CHEMBL126159; 308246-52-8 (free base); 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; AC1L9FIC; SCHEMBL4162998; DTXSID30327954; BCP34017; EX-A3021; BDBM50237809; HY-U00248; NSC706743; CS-7432; NSC-706743; Q27894415; 20-[3-(2-Hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; 5H-(1,3)Dioxolo(5,6)indeno(1,2-C)isoquinoline-5,12(6H)-dione, 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-; 5H-[1,6]indeno[1,2-c]isoquinoline- 5,12(6H)-dione,6-[3-[(2-hydroxyethyl)amino]propyl]-2,3-dimethoxy-; 6-[3-(2-Hydroxyethyl)aminopropyl]-5,11-diketo-2,3-dimethoxy-8,9-(methylenedioxy)- 11H-indeno[1,2-c]isoquinoline

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

452.5

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C24H24N2O7
IUPAC Name: 20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
Canonical SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC
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
InChIKey: QCSDJDQOJBQTDV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 397888
CAS Number: 308246-52-8
TTD ID: DDXH71

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase I (TOP1)	TTGTQHC	TOP1_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
DNA topoisomerase I (TOP1)	DTT	TOP1	6.65E-01	0.2	0.39

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03030417) Indenoisoquinoline LMP744 in Adults With Relapsed Solid Tumors and Lymphomas. U.S. National Institutes of Health.
2	Targeting Topoisomerase I in the Era of Precision Medicine. Clin Cancer Res. 2019 Nov 15;25(22):6581-6589.