GLIQUIDONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BB08
UNII: C7C2QDD75P

Structure
InChI Key LLJFMFZYVVLQKT-UHFFFAOYSA-N
Smile COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
InChI
InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H33N3O6S
Molecular Weight 527.64
AlogP 3.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 121.88
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 11600 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 23850 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 93416
ChEMBL CHEMBL383634
DrugBank DB01251
DrugCentral 1302
EPA CompTox DTXSID4023096
FDA SRS C7C2QDD75P
Human Metabolome Database HMDB0015381
PharmGKB PA164744895
PubChem 91610
SureChEMBL SCHEMBL37769
ZINC ZINC000001482077
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