Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0L0MJ
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| Former ID |
DIB020809
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| Drug Name |
Rockout
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| Synonyms |
3-(Pyridin-4-yl)-1H-indole; 3-(4-Pyridyl)indole; rockout; 3-(pyridin-4-yl)-1H-indole; 7272-84-6; 3-Pyridin-4-yl-1H-indole; 3-(4-Pyridyl)-1H-indole; Rho Kinase Inhibitor III, Rockout; 3-(4-Pyridinyl)-1H-indole; CHEMBL380071; 1H-indole, 3-(4-pyridinyl)-; 3-(4-Pyridyl); Rho kinase inhibitor III; ChemDiv2_000332; AC1LD92F; Oprea1_292323; Oprea1_060403; CBDivE_015772; MLS000029246; SCHEMBL238277; GTPL6032; cid_644354; ZINC80555; CHEBI:93984; DTXSID90349379; 3-(PYRIDIN-4-YL)INDOLE; MolPort-001-899-519; HMS1369P02; HMS3229K13; HMS2280K08; STL331403; IN1125; BDBM50182878; rockout
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C13H10N2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=CN2)C3=CC=NC=C3
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| InChI |
1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
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| InChIKey |
LLJRXVHJOJRCSM-UHFFFAOYSA-N
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| CAS Number |
CAS 7272-84-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
842111, 852914, 910332, 3230527, 3952212, 4915201, 8707366, 11144706, 11217482, 25745662, 26759447, 43766042, 47590085, 47663419, 52869518, 53800565, 57408266, 87552146, 88942502, 92236356, 99302773, 103486144, 104067493, 105081025, 109828160, 124816066, 125603470, 128505863, 134343673, 137157117, 138127387, 138508533, 143638570, 163687406, 164084292, 164233106, 164764701, 166662194, 172883211, 175607436, 178102654, 179062132, 208264786, 226589126, 249774251
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| ChEBI ID |
CHEBI:93984
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) | Target Info | Inhibitor | [2] |
| BioCyc | Purine nucleotides degradation | |||
| Urate biosynthesis/inosine 5'-phosphate degradation | ||||
| Guanosine nucleotides de novo biosynthesis | ||||
| Superpathway of purine nucleotide salvage | ||||
| Purine nucleotides de novo biosynthesis | ||||
| Guanosine ribonucleotides de novo biosynthesis | ||||
| KEGG Pathway | Purine metabolism | |||
| Drug metabolism - other enzymes | ||||
| Metabolic pathways | ||||
| Panther Pathway | De novo purine biosynthesis | |||
| Reactome | Purine ribonucleoside monophosphate biosynthesis | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Phosphorylation and activation of myosin by Rho-associated kinase (Rho-kinase). J Biol Chem. 1996 Aug 23;271(34):20246-9. | |||
| REF 2 | Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. | |||
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