Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E2VC
|
|||
| Former ID |
DNC005261
|
|||
| Drug Name |
PD-128763
|
|||
| Synonyms |
5-Methyl-3,4-dihydroisoquinolin-1(2H)-one; 129075-56-5; 5-methyl-3,4-dihydroisoquinolin-1(2H)-one; 3,4-Dihydro-5-methyl-1(2H)-isoquinolinone; 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE; 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-; CHEBI:41928; PD128763; CHEMBL125200; 5-methyl-3,4-dihydro-2H-isoquinolin-1-one; 3,4-dihydro-5-methylisoquinolinone; 1(2H)-Isoquinolinone,3,4-dihydro-5-methyl-; 5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one; DHQ; PD 128763; dihydroisoquinolinone, 1; AC1L3WIO; ACMC-1C7L4; SCHEMBL831538; AMBZ0075; KS-00000QFP; CTK4B6146; BDBM27682; 3,4-Dihydro-5-Methyl-Isoquinolinone
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C10H11NO
|
|||
| Canonical SMILES |
CC1=C2CCNC(=O)C2=CC=C1
|
|||
| InChI |
1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
|
|||
| InChIKey |
RLLZPXDJYADIEU-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 129075-56-5
|
|||
| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:41928
|
|||
| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [2], [3] | |||
| Description | 3,4-dihydro-5-Methyl-Isoquinolinone can be metabolized by gut microbiota. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Poly [ADP-ribose] polymerase 1 (PARP1) | Target Info | Inhibitor | [1], [4] |
| KEGG Pathway | Base excision repair | |||
| NF-kappa B signaling pathway | ||||
| Panther Pathway | FAS signaling pathway | |||
| Pathway Interaction Database | Integrin-linked kinase signaling | |||
| Caspase Cascade in Apoptosis | ||||
| Notch-mediated HES/HEY network | ||||
| Reactome | Dual Incision in GG-NER | |||
| WikiPathways | FAS pathway and Stress induction of HSP regulation | |||
| Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer | ||||
| Nanoparticle triggered regulated necrosis | ||||
| Corticotropin-releasing hormone | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 2 | Omics Approaches To Probe Microbiota and Drug Metabolism Interactions. Chem Res Toxicol. 2016 Dec 19;29(12):1987-1997. | |||
| REF 3 | Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites. Proc Natl Acad Sci U S A. 2009 Mar 10;106(10):3698-703. | |||
| REF 4 | Resistance-modifying agents. 5. Synthesis and biological properties of quinazolinone inhibitors of the DNA repair enzyme poly(ADP-ribose) polymeras... J Med Chem. 1998 Dec 17;41(26):5247-56. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.