TEGLARINAD CHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII D6V5QYX9MZ

Structure

InChI Key DAHMXVAETAAQOZ-UHFFFAOYSA-N
Smiles COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/C#N)NCCCCCCOc2ccc(Cl)cc2)cc1.[Cl-]
InChI
InChI=1S/C30H42ClN5O8.ClH/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28;/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H43Cl2N5O8
Molecular Weight 672.61
AlogP 3.91
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 145.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
Nicotinamide phosphoribosyltransferase inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7943 - - -

Target Conservation

Protein: Nicotinamide phosphoribosyltransferase
Description: Nicotinamide phosphoribosyltransferase
Organism : Homo sapiens
P43490 ENSG00000105835

Cross References

Resources Reference
ChEMBL CHEMBL190412
FDA SRS D6V5QYX9MZ
PubChem 9961434
SureChEMBL SCHEMBL2672343
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