EcoDrugPlus


Synonyms	Motexafin
Status
Molecule Category	Free-form
UNII	75QG9WGN4U

Synonyms

Motexafin

Status

Molecule Category

Free-form

UNII

75QG9WGN4U


InChI Key	AHNIKTNNZJNCFN-CNEPGKQSSA-N
Smiles	CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[nH]2)C(CCCO)=C4C)C(C)=C3CCCO
InChI	InChI=1S/C48H67N5O10/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40/h27-32,51,54-55H,7-26H2,1-6H3/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+

InChI Key

AHNIKTNNZJNCFN-CNEPGKQSSA-N

Smiles

CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[nH]2)C(CCCO)=C4C)C(C)=C3CCCO

InChI

InChI=1S/C48H67N5O10/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40/h27-32,51,54-55H,7-26H2,1-6H3/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+

Property Name	Value
Molecular Formula	C48H67N5O10
Molecular Weight	874.09
AlogP	6.99
Hydrogen Bond Acceptor	14.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	28.0
Polar Surface Area	181.65
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	63.0

Property Name

Value

Molecular Formula

C48H67N5O10

Molecular Weight

874.09

AlogP

6.99

Hydrogen Bond Acceptor

14.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

28.0

Polar Surface Area

181.65

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

63.0

Resources	Reference
ChEMBL	CHEMBL2104414
FDA SRS	75QG9WGN4U
PubChem	151071

Resources

Reference

ChEMBL

CHEMBL2104414

FDA SRS

75QG9WGN4U

PubChem

151071

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

MOTEXAFIN

Structure

Physicochemical Descriptors

Cross References