sucunamostat   Click here for help

GtoPdb Ligand ID: 11683

Synonyms: SCO-792 | SCO792
Compound class: Synthetic organic
Comment: We obtained the chemical structure for sucunamostat from WHO Proposed list 125 of July 2021. The chemical structure of sucunamostat is identical to the disclosed structure of the small molecule, reversible enteropeptidase (TMPRSS15) inhibitor SCO-792 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 201.13
Molecular weight 470.14
XLogP -1.29
No. Lipinski's rules broken 2
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Canonical SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC[C@H]2CC(=O)N[C@H](C(=O)O)CC(=O)O
Isomeric SMILES N(C(=N)N)c1ccc(C(=O)Oc2cc3c([C@@H](CO3)CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1
InChI InChI=1S/C22H22N4O8/c23-22(24)25-13-3-1-11(2-4-13)21(32)34-14-5-6-15-12(10-33-17(15)8-14)7-18(27)26-16(20(30)31)9-19(28)29/h1-6,8,12,16H,7,9-10H2,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t12-,16+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-[[2-[(3S)-6-[4-(Diaminomethylideneamino)benzoyl]oxy-2,3-dihydro-1-benzofuran-3-yl]acetyl]amino]butanedioic acid
International Nonproprietary Names Click here for help
INN number INN
11562 sucunamostat
Synonyms Click here for help
SCO-792 | SCO792
Database Links Click here for help
CAS Registry No. 1802888-04-5 (source: WHO INN record)
GtoPdb PubChem SID 442878709
PubChem CID 91827404
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