Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06JVU
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| Former ID |
DIB003831
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| Drug Name |
A-68552
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| Synonyms |
IDDB2379
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| Drug Type |
Small molecular drug
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| Indication | Obesity [ICD-11: 5B81; ICD-10: E66; ICD-9: 278] | Terminated | [1] | |
| Company |
Abbott Laboratories
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| Structure |
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Download2D MOL |
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| Formula |
C48H62N8O13S
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| Canonical SMILES |
CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(=O)C(CC3=CC=CC=C3)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O
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| InChI |
1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)44(61)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)45(62)55-40(27-43(59)60)48(65)56-46(63)38(49-3)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,49-50H,4-7,16-17,21,24-27,29H2,1-3H3,(H,51,61)(H,52,57)(H,53,58)(H,54,64)(H,55,62)(H,59,60)(H,56,63,65)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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| InChIKey |
HTISDDBHNNOAGK-HECCNADXSA-N
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| CAS Number |
CAS 112882-74-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor (CCKR) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001851) | |||
| REF 2 | CN patent application no. 102481276, Chemosensory receptor ligand-based therapies. | |||
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