TEMANOGREL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: F42Z27575A

Structure
InChI Key ZEOQUKRCASTCFR-UHFFFAOYSA-N
Smile COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1
InChI
InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N4O4
Molecular Weight 436.51
AlogP 3.06
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 77.85
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Serotonin 2a (5-HT2a) receptor inverse agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 11000 - - 32
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 5 - 5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 1 D054058 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1084617
EPA CompTox DTXSID70237321
FDA SRS F42Z27575A
PubChem 11604525
SureChEMBL SCHEMBL1166554
ZINC ZINC000035920376
CONTENTS