TARIQUIDAR

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Synonyms
Status
Molecule Category Free-form
UNII J58862DTVD
EPA CompTox DTXSID10174746

Structure

InChI Key LGGHDPFKSSRQNS-UHFFFAOYSA-N
Smiles COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2
InChI
InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H38N4O6
Molecular Weight 646.74
AlogP 6.37
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 111.25
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 48.0

Pharmacology

Mechanism of Action Action Reference
P-glycoprotein 1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
16-211 0.22-460 - - 7.1-48.2
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
10-100 183.3-940 - - 39
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 20.44 - - -
Homo sapiens
10-211 0.22-526 - - 7.1-48.2
Mus musculus
- 38-64.57 - - -

Target Conservation

Protein: P-glycoprotein 1
Description: ATP-dependent translocase ABCB1
Organism : Homo sapiens
P08183 ENSG00000085563

Cross References

Resources Reference
ChEMBL CHEMBL348475
DrugBank DB06240
FDA SRS J58862DTVD
PDB R1H
SureChEMBL SCHEMBL104163
ZINC ZINC000004214704
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