TRANSTORINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H030S2S85J

Structure
InChI Key HCZHHEIFKROPDY-UHFFFAOYSA-N
Smile O=C(O)c1cc(=O)c2ccccc2[nH]1
InChI
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7NO3
Molecular Weight 189.17
AlogP 1.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 70.16
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10.79
Enzyme Transferase
- - - - 13.39-24.42
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -19.17--4
Ion channel Ligand-gated ion channel GABA-A receptor
- 2900000 - - -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
- 101000 - - -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 13800-184000 - 5400-5400 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 7000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
39200-217000 39000 - 137000 -
Transcription factor
300 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC17 phosphate and organic anion transporter family
- - - 1300000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107.38

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 18344
ChEMBL CHEMBL299155
DrugBank DB11937
EPA CompTox DTXSID8075417
FDA SRS H030S2S85J
Human Metabolome Database HMDB0000715
Guide to Pharmacology 2918
KEGG C01717
PDB KYA
SureChEMBL SCHEMBL22979
ZINC ZINC000008584773
CONTENTS