DORZAGLIATIN

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Synonyms
Status
Molecule Category Free-form
UNII X59W6980E8

Structure

InChI Key HMUMWSORCUWQJO-QAPCUYQASA-N
Smiles CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O
InChI
InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27ClN4O5
Molecular Weight 462.93
AlogP 2.05
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 116.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Hexokinase type IV activator ACTIVATOR PubMed PubMed

Target Conservation

Protein: Hexokinase type IV
Description: Hexokinase-4
Organism : Homo sapiens
P35557 ENSG00000106633

Cross References

Resources Reference
ChEMBL CHEMBL4297508
DrugBank DB15123
FDA SRS X59W6980E8
SureChEMBL SCHEMBL1079619
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