Details of the Drug

General Information of Drug (ID: DM01MY4)

Drug Name
PTX-008
Synonyms KM-0118
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C52H72N8O8
Canonical SMILES
CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C
InChI
1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey
CQVAQQNDZCZBSU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11953346
CAS Number
286936-40-1
TTD ID
D0S6FE
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

References

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