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Details

Stereochemistry ACHIRAL
Molecular Formula C20H26N4O4
Molecular Weight 386.4448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEVENOPRAN

SMILES

COC1=CC(CNCCC2CCOCC2)=CC=C1OC3=CN=C(C=N3)C(N)=O

InChI

InChIKey=ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)

HIDE SMILES / InChI
Molecular Formula C20H26N4O4
Molecular Weight 386.4448
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

Bevenopran (also known as CB-5945), a peripherally acting mu-opioid receptor antagonist that was studied for the treatment of opioid-induced constipation. Due to difficulties with enrollment, phase III of clinical trials were terminated early.

Originator

Eli Lilly
239

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Mu opioid receptor
231
Antagonist
2,849
Delta opioid receptor
81
Antagonist
2,849

PubMed

Patents

07381719
4
07531557
3
07560463
3
20060217372
1
20080255152
1
20080269296
1
JP2006511474A
1
JP4646628B2
1

Sample Use Guides

In Vivo Use Guide
0.25 milligrams (mg) CB-5945 (bevenopran) administered orally twice daily (BID) for a 12-week treatment period
Route of Administration: Oral
Substance Class Chemical
Record UNII
IC58Q2EHPJ
Record Status Validated (UNII)
Record Version
NIH
NCATS
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