Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H32N4O4.C4H6O4 |
| Molecular Weight | 642.6982 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CC(C)(CC1=CC=C(OC2=CC=C(C=N2)C(N)=O)C=C1)NC[C@H](O)COC3=CC=CC4=C3C5=C(N4)C=CC=C5
InChI
InChIKey=VETOWAAOXIOBAQ-FTBISJDPSA-N
InChI=1S/C31H32N4O4.C4H6O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26;5-3(6)1-2-4(7)8/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37);1-2H2,(H,5,6)(H,7,8)/t22-;/m0./s1
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C31H32N4O4 |
| Molecular Weight | 524.6102 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
LY377604 is a human β3-adrenergic receptor agonist and β1- and β2-adrenergic receptor antagonist with no sympathomimetic activity at the β1- and β2-adrenergic receptors. Combination of LY377604 and a norepinephrine-serotonin uptake inhibitor (sibutramine) was studied in the treatment of obesity. LY377604 would ameliorate side effect of sibutramine treatment (increase in blood pressure and heart rate due to activation of the sympathetic nervous system).
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P13945 Gene ID: 155.0 Gene Symbol: ADRB3 Target Organism: Homo sapiens (Human) |
2.4 nM [EC50] | ||
Target ID: P08588 Gene ID: 153.0 Gene Symbol: ADRB1 Target Organism: Homo sapiens (Human) |
23.0 pM [Ki] | ||
Target ID: P07550|||Q53GA6|||Q9UCZ3 Gene ID: 154.0 Gene Symbol: ADRB2 Target Organism: Homo sapiens (Human) |
12.0 pM [Ki] |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Combination of a Beta adrenoceptor modulator and a norepinephrine-serotonin uptake inhibitor for the treatment of obesity. | 2011 Aug 11 |
|
| The fate of 4-hydroxycarbazole metabolite: metabolism and carcinogenicity assessment of a β-adrenergic receptor modulator containing carbazole structure. | 2011 Dec |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:34 GMT 2023
by
admin
on
Fri Dec 15 15:55:34 GMT 2023
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| Record UNII |
E9VKF1I67D
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| Record Status |
Validated (UNII)
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| Record Version |
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16081026
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admin on Fri Dec 15 15:55:34 GMT 2023 , Edited by admin on Fri Dec 15 15:55:34 GMT 2023
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ACTIVE MOIETY |