Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D7CE6N
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| Drug Name |
AB680
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| Synonyms |
AB-680; UNII-J6K8WSV73A; J6K8WSV73A; CHEMBL4471306; 2105904-82-1; (((((2R,3S,4R,5R)-5-(6-chloro-4-(((S)-1-(2-fluorophenyl)ethyl)amino)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic acid; [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid; SCHEMBL19100484; GTPL10707; BDBM50527134; HY-125286; CS-0090231; [[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid; QDH
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| Drug Type |
Small molecular drug
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| Indication | Pancreatic cancer [ICD-11: 2C10; ICD-9: 157] | Phase 1 | [1] | |
| Company |
Arcus Biosciences
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| Structure |
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Download2D MOL
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| Formula |
C20H24ClFN4O9P2
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| Canonical SMILES |
CC(C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl
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| InChI |
1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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| InChIKey |
MFYLCAMJNGIULC-KCVUFLITSA-N
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| CAS Number |
CAS 2105904-82-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ecto-5'-nucleotidase (CD73) | Target Info | Inhibitor | [2] |
| BioCyc | Purine nucleotides degradation | |||
| Urate biosynthesis/inosine 5'-phosphate degradation | ||||
| Adenosine nucleotides degradation | ||||
| KEGG Pathway | Purine metabolism | |||
| Pyrimidine metabolism | ||||
| Nicotinate and nicotinamide metabolism | ||||
| Metabolic pathways | ||||
| Panther Pathway | Purine metabolism | |||
| Pyrimidine Metabolism | ||||
| Pathway Interaction Database | HIF-1-alpha transcription factor network | |||
| Reactome | Purine catabolism | |||
| WikiPathways | Differentiation Pathway | |||
| miR-targeted genes in muscle cell - TarBase | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| miR-targeted genes in epithelium - TarBase | ||||
| Metabolism of nucleotides | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT04104672) A Study to Evaluate the Safety and Tolerability of AB680 in Participants With Gastrointestinal Malignancies. U.S. National Institutes of Health. | |||
| REF 2 | Discovery of AB680: A Potent and Selective Inhibitor of CD73. J Med Chem. 2020 Oct 22;63(20):11448-11468. | |||
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