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Details

Stereochemistry ACHIRAL
Molecular Formula C30H32N6
Molecular Weight 476.6153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)N4CCN(CC5=CC=C6N=CC=NC6=C5)CC4

InChI

InChIKey=AVEVJMZJJJDOCI-UHFFFAOYSA-N
InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)

HIDE SMILES / InChI

Description

WAY 207024 dihydrochloride has been reported to be a potent and high affinity gonadotrophin releasing hormone receptor (GnRH-R) antagonist. WAY 207024 was assessed in vitro for broad off-target activity (65 receptors and enzymes), including the hERG potassium channel, at 2 µM. Some activity at the histamine H2, nonselective opioid, and neurokinin NK2 receptors was noted. Rats, treated orally with WAY 207024 showed profound suppression of leuteinizing hormone that lasted for up to 24 h.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
12.0 nM [IC50]
330.0 nM [Ki]
850.0 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Rat: 30 mg/kg
Route of Administration: Oral
In Vitro Use Guide
WAY-207024 showed moderate liver microsome stability (t1/2 = 16 min) and PAMPA membrane diffusion characteristics (Pe = 0.23 × 10-6 cm/s).