General Information of Drug (ID: DMQ5FEC)

Drug Name
ASP2397
Synonyms
UNII-E39B3691TD; E39B3691TD; ASP-2397; VL-2397; UNII-E39B3691TD component NRHTWBFQTMOOKS-FELWXBABSA-N; 1186200-57-6; Cyclo(L-asparaginyl-L-leucyl-D-phenylalanyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl), aluminum salt (1:1)
Indication
Disease Entry ICD 11 Status REF
Invasive pulmonary aspergillosis 1F20.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C40H59AlN10O13
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])CC2=CC=CC=C2.[Al+3]
InChI
1S/C40H59N10O13.Al/c1-23(2)20-31-38(58)46-32(21-27-12-7-6-8-13-27)39(59)44-29(15-10-18-49(62)25(4)52)36(56)42-28(14-9-17-48(61)24(3)51)35(55)43-30(16-11-19-50(63)26(5)53)37(57)47-33(22-34(41)54)40(60)45-31;/h6-8,12-13,23,28-33H,9-11,14-22H2,1-5H3,(H2,41,54)(H,42,56)(H,43,55)(H,44,59)(H,45,60)(H,46,58)(H,47,57);/q-3;+3/t28-,29-,30-,31-,32+,33-;/m0./s1
InChIKey
NRHTWBFQTMOOKS-FELWXBABSA-N
Cross-matching ID
PubChem CID
77843968
CAS Number
1186200-57-6
TTD ID
D9UDT8

References

1 ClinicalTrials.gov (NCT03327727) VL-2397 Compared to Standard First-Line Treatment for Invasive Aspergillosis (IA) in Adults. U.S. National Institutes of Health.