TARIQUIDAR

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J58862DTVD

Structure
InChI Key LGGHDPFKSSRQNS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR P-glycoprotein 1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 27200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 45300 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 7100 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 100000 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
44-211 1-14390 - - 7-1123
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
10-100 520-6223 - - 39

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Adrenal Cortex Neoplasms 2 D000306 ClinicalTrials
Neuralgia 1 D009437 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL348475
DrugBank DB06240
EPA CompTox DTXSID10174746
FDA SRS J58862DTVD
PDB R1H
SureChEMBL SCHEMBL104163
ZINC ZINC000004214704
CONTENTS