EcoDrugPlus


Synonyms	Lemuteporfin QLT-0074 QLT0074
Status
Molecule Category	Free-form
UNII	EZ109VJ012

Synonyms

Lemuteporfin

QLT-0074

QLT0074

Status

Molecule Category

Free-form

UNII

EZ109VJ012


InChI Key	LHXFPSQJODNWEW-DVNHMXKTSA-N
Smiles	C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)C(CCC(=O)OCCO)=C4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC
InChI	InChI=1S/C45H50N4O9/c1-9-18-57-40(51)15-12-28-25(4)32-20-35-27(10-2)24(3)33(46-35)21-38-31-14-11-30(43(53)55-7)42(44(54)56-8)45(31,6)39(49-38)23-34-26(5)29(13-16-41(52)58-19-17-50)37(48-34)22-36(28)47-32/h10-11,14,20-23,42,47,49-50H,2,9,12-13,15-19H2,1,3-8H3/b35-20-,37-22-,38-21-,39-23-

InChI Key

LHXFPSQJODNWEW-DVNHMXKTSA-N

Smiles

C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)C(CCC(=O)OCCO)=C4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC

InChI

InChI=1S/C45H50N4O9/c1-9-18-57-40(51)15-12-28-25(4)32-20-35-27(10-2)24(3)33(46-35)21-38-31-14-11-30(43(53)55-7)42(44(54)56-8)45(31,6)39(49-38)23-34-26(5)29(13-16-41(52)58-19-17-50)37(48-34)22-36(28)47-32/h10-11,14,20-23,42,47,49-50H,2,9,12-13,15-19H2,1,3-8H3/b35-20-,37-22-,38-21-,39-23-

Property Name	Value
Molecular Formula	C45H50N4O9
Molecular Weight	790.91
AlogP	6.84
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	13.0
Polar Surface Area	182.79
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	58.0

Property Name

Value

Molecular Formula

C45H50N4O9

Molecular Weight

790.91

AlogP

6.84

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

13.0

Polar Surface Area

182.79

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

58.0

Resources	Reference
ChEMBL	CHEMBL2107756
FDA SRS	EZ109VJ012

Resources

Reference

ChEMBL

CHEMBL2107756

FDA SRS

EZ109VJ012

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

LEMUTEPORFIN

Structure

Physicochemical Descriptors

Cross References