Details of the Drug

General Information of Drug (ID: DM9RE4Q)

Drug Name

SPR741

Synonyms

1179330-52-9; NAB741; CHEMBL1631770; SCHEMBL21116156; SPR-741; SPR741 (NAB741); EX-A4067; HY-P1649; CS-0079940; (2S,3R)-2-acetamido-3-hydroxy-N-[(2R)-3-hydroxy-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]bu

Indication

Disease Entry	ICD 11	Status	REF
Acinetobacter baumannii infection	CA40.0Y	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C44H73N13O13
Canonical SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C)C(C)O)CCN)CCN
InChI: 1S/C44H73N13O13/c1-22(2)19-31-40(66)52-27(11-15-45)36(62)51-29(13-17-47)39(65)57-34(23(3)59)43(69)48-18-14-30(53-42(68)33(21-58)56-44(70)35(24(4)60)49-25(5)61)38(64)50-28(12-16-46)37(63)55-32(41(67)54-31)20-26-9-7-6-8-10-26/h6-10,22-24,27-35,58-60H,11-21,45-47H2,1-5H3,(H,48,69)(H,49,61)(H,50,64)(H,51,62)(H,52,66)(H,53,68)(H,54,67)(H,55,63)(H,56,70)(H,57,65)/t23-,24-,27+,28+,29+,30+,31+,32-,33-,34+,35+/m1/s1
InChIKey: JBFNEVNUGGFPBQ-DDMCRLCFSA-N

Cross-matching ID

PubChem CID: 53323381
TTD ID: DUP48T

References

1	ClinicalTrials.gov (NCT03022175) A First in Human Study of the Safety and Tolerability of Single and Multiple Doses of SPR741 in Healthy Volunteers. U.S. National Institutes of Health.