Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PI1C
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| Former ID |
DIB020014
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| Drug Name |
HQL-79
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| Synonyms |
HQL79; HQL 79
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C22H27N5O
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| Canonical SMILES |
C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
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| InChI |
1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
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| InChIKey |
TZQGXAHOROZEKN-UHFFFAOYSA-N
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| CAS Number |
CAS 162641-16-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
11110093, 14779957, 17137156, 43185427, 46394035, 78840335, 99444388, 103698647, 104154489, 114617208, 123220338, 125317241, 125334115, 129336962, 137184564, 137615999, 160968975, 162012042, 164759453, 172840953, 175437918, 178103274, 184538738, 184816006, 202558391, 226681828, 241376499, 242060247, 250136882, 252157330, 252367711, 252450260, 252457239, 252543562
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Glutathione-dependent PGD synthase (HPGDS) | Target Info | Inhibitor | [2] |
| BioCyc | C20 prostanoid biosynthesis | |||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| WikiPathways | Arachidonic acid metabolism | |||
| Aryl Hydrocarbon Receptor | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6662). | |||
| REF 2 | Structural and functional characterization of HQL-79, an orally selective inhibitor of human hematopoietic prostaglandin D synthase. J Biol Chem. 2006 Jun 2;281(22):15277-86. | |||
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