Details of the Drug

General Information of Drug (ID: DMUROIY)

Drug Name

PSN-101

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

1006.7

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

25

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

16

Chemical Identifiers

Formula: C48H68ClN5O12S2
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Canonical SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI: InChI=1S/C30H53N3O6.C18H15ClN2O6S2/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);3-5,7,21H,6,8H2,1-2H3/t22-,23-,24-,25-;/m0./s1
InChIKey: FVDZRAUCUALTCQ-NATPOTRJSA-N