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Chemistry

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Also known as: 2212020-52-3, Ly3502970, Chembl4446782, Ly-3502970, 3-[(1s,2s)-1-[5-[(4s)-2,2-dimethyloxan-4-yl]-2-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4h-1,2,4-oxadiazol-5-one, 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one
Molecular Formula
C48H48F2N10O5
Molecular Weight
883.0  g/mol
InChI Key
USUWIEBBBWHKNI-KHIFEHGGSA-N
FDA UNII
7ZW40D021M

Orforglipron Calcium Hydrate
1 2D Structure

Orforglipron Calcium Hydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
2.1.2 InChI
InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
2.1.3 InChI Key
USUWIEBBBWHKNI-KHIFEHGGSA-N
2.1.4 Canonical SMILES
CC1CC1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)C5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7C6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
2.1.5 Isomeric SMILES
C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)[C@H]5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7[C@@H]6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
2.2 Other Identifiers
2.2.1 UNII
7ZW40D021M
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ly3502970

2.3.2 Depositor-Supplied Synonyms

1. 2212020-52-3

2. Ly3502970

3. Chembl4446782

4. Ly-3502970

5. 3-[(1s,2s)-1-[5-[(4s)-2,2-dimethyloxan-4-yl]-2-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4h-1,2,4-oxadiazol-5-one

6. 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one

7. V6g

8. Orforglipron [inn]

9. Orforglipron [usan]

10. Ly3502970 (orforglipron)

11. Owl833

12. Schembl21175277

13. Gtpl12175

14. 7zw40d021m

15. Ex-a7751

16. Bdbm50514045

17. Akos040733262

18. Glp-1 Receptor Agonist 1;orforglipron

19. Ms-31635

20. Hy-112185

21. Cs-0043632

22. 1,2,4-oxadiazol-5(2h)-one, 3-[(1s,2s)-1-[2-[[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indol-1-yl]-2-methylcyclopropyl]-

23. 3-[(1s,2s)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4s)-2,2-dimethyloxan-4-yl]-1h-indol-1-yl}-2-methylcyclopropyl]-5-oxo-1,2,4-oxadiazol-4(5h)-ide

2.4 Create Date
2019-01-28
3 Chemical and Physical Properties
Molecular Weight 883.0 g/mol
Molecular Formula C48H48F2N10O5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area144
Heavy Atom Count65
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Drugs in Development

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Details:

LY3502970 (orforglipron) is a once-daily oral nonpeptide GLP-1 receptor agonist. It is being evaluated in phase 3 clinical trials for the treatment of adults with Type 2 Diabetes.


Lead Product(s): Orforglipron Calcium Hydrate

Therapeutic Area: Endocrinology Brand Name: LY3502970

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Chugai Pharmaceutical

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable October 28, 2023

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Eli Lilly

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Eli Lilly

U.S.A
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Biotech Digital Meet
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Details : LY3502970 (orforglipron) is a once-daily oral nonpeptide GLP-1 receptor agonist. It is being evaluated in phase 3 clinical trials for the treatment of adults with Type 2 Diabetes.

Product Name : LY3502970

Product Type : Small molecule

Upfront Cash : Not Applicable

October 28, 2023

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Details:

LY3502970 (orforglipron), is first nonpeptide oral glucagon-like peptide-1 (GLP-1) receptor agonist being studied for chronic weight management in participants with obesity or overweight.


Lead Product(s): Orforglipron Calcium Hydrate

Therapeutic Area: Nutrition and Weight Loss Brand Name: LY3502970

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Chugai Pharmaceutical

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable June 23, 2023

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Eli Lilly

U.S.A
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Biotech Digital Meet
Not Confirmed

Eli Lilly

U.S.A
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Biotech Digital Meet
Not Confirmed

Details : LY3502970 (orforglipron), is first nonpeptide oral glucagon-like peptide-1 (GLP-1) receptor agonist being studied for chronic weight management in participants with obesity or overweight.

Product Name : LY3502970

Product Type : Small molecule

Upfront Cash : Not Applicable

June 23, 2023

blank

Details:

LY3502970 (orforglipron), is first nonpeptide oral glucagon-like peptide-1 (GLP-1) receptor agonist being studied for chronic weight management in participants with obesity or overweight.


Lead Product(s): Orforglipron Calcium Hydrate

Therapeutic Area: Nutrition and Weight Loss Brand Name: LY3502970

Study Phase: Phase IIIProduct Type: Small molecule

Sponsor: Chugai Pharmaceutical

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable June 20, 2023

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03

Eli Lilly

U.S.A
arrow
Biotech Digital Meet
Not Confirmed

Eli Lilly

U.S.A
arrow
Biotech Digital Meet
Not Confirmed

Details : LY3502970 (orforglipron), is first nonpeptide oral glucagon-like peptide-1 (GLP-1) receptor agonist being studied for chronic weight management in participants with obesity or overweight.

Product Name : LY3502970

Product Type : Small molecule

Upfront Cash : Not Applicable

June 20, 2023

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