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Details

Stereochemistry ACHIRAL
Molecular Formula C24H28N4O4
Molecular Weight 436.5035
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEMANOGREL

SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(C3=CC=NN3C)=C(OCCN4CCOCC4)C=C2

InChI

InChIKey=ZEOQUKRCASTCFR-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C24H28N4O4
Molecular Weight 436.5035
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Temanogrel (also known as APD791) is an oral small molecule inverse agonist of the serotonin 2A (5-HT2A) receptor with potent activity on platelets and vascular smooth muscle. Temanogrel has been studied in phase I clinical trials in healthy subjects to assess its pharmacokinetics, pharmacodynamics, and safety. However, these studies were terminated because of the sponsor’s decision.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Sample Use Guides

In Vivo Use Guide
APD791 (temanogrel) (10 or 20 or 40) mg single dose
Route of Administration: Oral
Substance Class Chemical
Record UNII
F42Z27575A
Record Status Validated (UNII)
Record Version