General Information of Drug (ID: DM1OQ39)

Drug Name
ATX-S10
Synonyms
ATX-S10 Na; ATX-S10 Na(II); Photodynamic therapy (cancer, AMD); Photodynamic therapy, Allergan/Hamamatsu; Photodynamic therapy, Allergan/Photochemical; Photodynamic therapy (cancer, AMD), Photochemical
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C42H41N7Na4O12
Canonical SMILES
CC1=C(C2=NC1=CC3=NC(=CC4=C(C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)NC(CC(=O)[O-])C(=O)[O-])N4)(C)O)C=CNO)C(=C3C=C)C)CCC(=O)NC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
1S/C42H45N7O12.4Na/c1-6-22-19(2)27-14-32-25(11-12-43-61)42(5,60)35(47-32)16-28-21(4)24(8-10-37(51)49-34(41(58)59)18-39(54)55)31(46-28)15-30-23(20(3)26(45-30)13-29(22)44-27)7-9-36(50)48-33(40(56)57)17-38(52)53;;;;/h6,11-16,33-34,43,47,60-61H,1,7-10,17-18H2,2-5H3,(H,48,50)(H,49,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59);;;;/q;4*+1/p-4/b12-11+,26-13?,27-14?,31-15?,35-16?;;;;/t33-,34-,42?;;;;/m0..../s1
InChIKey
CFDYXPRZJQKYQB-FALBFATCSA-J
Cross-matching ID
PubChem CID
135413530
TTD ID
D07ZHM

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.