ARUNDINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SSZ9HQT61Z

Structure
InChI Key VFTRKSBEFQDZKX-UHFFFAOYSA-N
Smile c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
InChI
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14N2
Molecular Weight 246.31
AlogP 4.24
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 31.58
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 22
Membrane receptor Family A G protein-coupled receptor
252-11000 - - - -
Transcription factor
78000 - 90 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 50182
ChEMBL CHEMBL446452
DrugBank DB11875
EPA CompTox DTXSID8037047
FDA SRS SSZ9HQT61Z
Guide to Pharmacology 11208
SureChEMBL SCHEMBL325162
ZINC ZINC000000187911
CONTENTS