Details of the Drug

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: 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
UNII: E39B3691TD
DrugBank ID: DB17796
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.