Details of the Drug

General Information of Drug (ID: DM9KB7A)

Drug Name

ZGN-1061

Synonyms

Aclimostat; UNII-X150A3JK8R; X150A3JK8R; 2082752-83-6; (3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3- methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl 3-[2-(morpholin-4-yl)ethyl]azetidine-1-carboxylate; Aclimostat [INN]; CHEMBL4297651; SCHEMBL18497467; BDBM148432; US9682965, 1; (3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl 3-(2-(morpholin-4-yl)ethyl)azetidine-1-carboxylate; (3R,4S,5S,6R)5Methoxy4((2R,3R)2methyl3(3methylbut2en1yl)oxiran2yl)1oxaspiro(2.5)octan6yl 3(2(morpholin4yl)ethyl)azetidine1carboxylate; 1-Azetidinecarboxylic acid, 3-(2-(4-morpholinyl)ethyl)-, (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester

Indication

Disease Entry	ICD 11	Status	REF
Type 2 diabetes	5A11	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

478.6

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C26H42N2O6
IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylate
Canonical SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCOCC5)OC)C
InChI: InChI=1S/C26H42N2O6/c1-18(2)5-6-21-25(3,34-21)23-22(30-4)20(7-9-26(23)17-32-26)33-24(29)28-15-19(16-28)8-10-27-11-13-31-14-12-27/h5,19-23H,6-17H2,1-4H3/t20-,21-,22-,23-,25+,26+/m1/s1
InChIKey: QJWJPMLDQYEPPW-AUKZVGPFSA-N

Cross-matching ID

PubChem CID: 126573394
CAS Number: 2082752-83-6
TTD ID: DA3GL5

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionine aminopeptidase 2 (METAP2)	TTZL0OI	MAP2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03254368) Study to Assess the Effects and Safety of ZGN-1061 in Overweight and Obese Participants With Type 2 Diabetes. U.S. National Institutes of Health.
2	The methionine aminopeptidase 2 inhibitor ZGN-1061 improves glucose control and weight in overweight and obese individuals with type 2 diabetes: A randomized, placebo-controlled trial. Diabetes Obes Metab. 2020 Jul;22(7):1215-1219.